N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine

C34H56N6 — CID 167241662

IUPACN-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine
SMILESCC(C)(C)CCc1ccc(N2CC(NC(C)(C)CCC(C)(C)c3ccnc(N4CC(NC(C)(C)C)C4)c3)C2)nc1
InChIInChI=1S/C34H56N6/c1-31(2,3)15-13-25-11-12-29(36-20-25)39-23-28(24-39)38-34(9,10)17-16-33(7,8)26-14-18-35-30(19-26)40-21-27(22-40)37-32(4,5)6/h11-12,14,18-20,27-28,37-38H,13,15-17,21-24H2,1-10H3
InChIKeyMLCRQIGEYVAKNF-UHFFFAOYSA-N
MW548.86 g/mol
LogP6.35
Rot. Bonds11

About N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine

N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine (PubChem CID 167241662) has the molecular formula C34H56N6 and a molecular weight of 548.86 g/mol. Its IUPAC name is N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine
PubChem CID167241662
Molecular FormulaC34H56N6
Molecular Weight548.86 g/mol
Exact Mass548.46
IUPAC NameN-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine
SMILESCC(C)(C)CCc1ccc(N2CC(NC(C)(C)CCC(C)(C)c3ccnc(N4CC(NC(C)(C)C)C4)c3)C2)nc1
InChIInChI=1S/C34H56N6/c1-31(2,3)15-13-25-11-12-29(36-20-25)39-23-28(24-39)38-34(9,10)17-16-33(7,8)26-14-18-35-30(19-26)40-21-27(22-40)37-32(4,5)6/h11-12,14,18-20,27-28,37-38H,13,15-17,21-24H2,1-10H3
InChIKeyMLCRQIGEYVAKNF-UHFFFAOYSA-N
XLogP6.35
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.86
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-3-[[4-[5-[[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutyl]amino]-2,5-dimethylhexan-2-yl]-2-pyridinyl]oxy]cyclobutan-1-amine
CID 134414186
N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654407
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine
CID 126671495
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
CID 163807662
N-[5-[2-[(2R)-1-(tert-butylamino)propan-2-yl]oxy-4-pyridinyl]-2,5-dimethylhexan-2-yl]-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine
CID 135216673
N-[6-[[6-[3-(tert-butylamino)cyclobutyl]oxy-3-pyridinyl]oxy]-2,5,5-trimethylhexan-2-yl]-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine
CID 146179558
(3R)-N-tert-butyl-1-[4-[4-[[3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutyl]amino]-4-methylpentyl]phenyl]pyrrolidin-3-amine
CID 134339647
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 158143771
2-(azetidin-1-yl)-4-(2-methylbutan-2-yl)pyridine
CID 71155012
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine?
The IUPAC name of N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine (CID 167241662) is N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine is CC(C)(C)CCc1ccc(N2CC(NC(C)(C)CCC(C)(C)c3ccnc(N4CC(NC(C)(C)C)C4)c3)C2)nc1.
What is the InChIKey of N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine?
The InChIKey is MLCRQIGEYVAKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N6/c1-31(2,3)15-13-25-11-12-29(36-20-25)39-23-28(24-39)38-34(9,10)17-16-33(7,8)26-14-18-35-30(19-26)40-21-27(22-40)37-32(4,5)6/h11-12,14,18-20,27-28,37-38H,13,15-17,21-24H2,1-10H3.
What are the key properties of N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine?
N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine has a molecular weight of 548.86 g/mol, XLogP of 6.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 167241662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).