4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine

C14H27N5 — CID 65074993

IUPAC4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
SMILESCN1CCCC(CN)(N(C)Cc2nccn2C)CC1
InChIInChI=1S/C14H27N5/c1-17-8-4-5-14(12-15,6-9-17)19(3)11-13-16-7-10-18(13)2/h7,10H,4-6,8-9,11-12,15H2,1-3H3
InChIKeyVKOVQFWOCOHEPS-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.67
Rot. Bonds4

About 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine

4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine (PubChem CID 65074993) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
PubChem CID65074993
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
SMILESCN1CCCC(CN)(N(C)Cc2nccn2C)CC1
InChIInChI=1S/C14H27N5/c1-17-8-4-5-14(12-15,6-9-17)19(3)11-13-16-7-10-18(13)2/h7,10H,4-6,8-9,11-12,15H2,1-3H3
InChIKeyVKOVQFWOCOHEPS-UHFFFAOYSA-N
XLogP0.67
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65088232
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63923451
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81467993
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527359
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 65045219
4-(aminomethyl)-N,1-dimethyl-N-[(3-methylphenyl)methyl]azepan-4-amine
CID 65075352
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
1-(aminomethyl)-2-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 106872482

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine (CID 65074993) is 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine is CN1CCCC(CN)(N(C)Cc2nccn2C)CC1.
What is the InChIKey of 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
The InChIKey is VKOVQFWOCOHEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-17-8-4-5-14(12-15,6-9-17)19(3)11-13-16-7-10-18(13)2/h7,10H,4-6,8-9,11-12,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine has a molecular weight of 265.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 65074993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).