N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine

C14H27N5 — CID 105416460

IUPACN,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine
SMILESCC(C)Cn1ncnc1CNCC1(N(C)C)CCC1
InChIInChI=1S/C14H27N5/c1-12(2)9-19-13(16-11-17-19)8-15-10-14(18(3)4)6-5-7-14/h11-12,15H,5-10H2,1-4H3
InChIKeyBYXZILIBLIGQCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.51
Rot. Bonds7

About N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine (PubChem CID 105416460) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine
PubChem CID105416460
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine
SMILESCC(C)Cn1ncnc1CNCC1(N(C)C)CCC1
InChIInChI=1S/C14H27N5/c1-12(2)9-19-13(16-11-17-19)8-15-10-14(18(3)4)6-5-7-14/h11-12,15H,5-10H2,1-4H3
InChIKeyBYXZILIBLIGQCW-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021
2-chloro-4-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-amine
CID 107155976
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106010104
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
CID 80602977
1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 115970110
2-[3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propoxy]ethanol
CID 106309909
3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
CID 79063621
1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999937
1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104610733
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-3-methylsulfinylpropan-1-amine
CID 113487468
5-chloro-4-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-amine
CID 114150805

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine (CID 105416460) is N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine is CC(C)Cn1ncnc1CNCC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine?
The InChIKey is BYXZILIBLIGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12(2)9-19-13(16-11-17-19)8-15-10-14(18(3)4)6-5-7-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).