N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine

C15H26N4 — CID 105072808

IUPACN-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCCN(C)CC1
InChIInChI=1S/C15H26N4/c1-13(2)17-11-14-5-6-16-12-15(14)19-8-4-7-18(3)9-10-19/h5-6,12-13,17H,4,7-11H2,1-3H3
InChIKeyUQCSSPHIRCJHMD-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.72
Rot. Bonds4

About N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105072808) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105072808
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCCN(C)CC1
InChIInChI=1S/C15H26N4/c1-13(2)17-11-14-5-6-16-12-15(14)19-8-4-7-18(3)9-10-19/h5-6,12-13,17H,4,7-11H2,1-3H3
InChIKeyUQCSSPHIRCJHMD-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073916
N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 106589227
N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 105074101
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280393
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967702
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073744

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 105072808) is N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccncc1N1CCCN(C)CC1.
What is the InChIKey of N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is UQCSSPHIRCJHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(2)17-11-14-5-6-16-12-15(14)19-8-4-7-18(3)9-10-19/h5-6,12-13,17H,4,7-11H2,1-3H3.
What are the key properties of N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105072808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).