4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine

C18H31N3 — CID 65078408

IUPAC4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)Cc2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-3-12-21-13-7-10-18(16-19,11-14-21)20(2)15-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-16,19H2,1-2H3
InChIKeyVZNBWSFTHLGQBK-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds6

About 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine

4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine (PubChem CID 65078408) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
PubChem CID65078408
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)Cc2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-3-12-21-13-7-10-18(16-19,11-14-21)20(2)15-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-16,19H2,1-2H3
InChIKeyVZNBWSFTHLGQBK-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine (CID 65078408) is 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine is CCCN1CCCC(CN)(N(C)Cc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine?
The InChIKey is VZNBWSFTHLGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-12-21-13-7-10-18(16-19,11-14-21)20(2)15-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-16,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine?
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine is sourced from PubChem (CID 65078408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).