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

C16H35N3 — CID 65078655

IUPAC4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
SMILESCCCCCN(C)C1(CN)CCCN(CCC)CC1
InChIInChI=1S/C16H35N3/c1-4-6-7-12-18(3)16(15-17)9-8-13-19(11-5-2)14-10-16/h4-15,17H2,1-3H3
InChIKeyUOYMBGWDVFYFQR-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.70
Rot. Bonds8

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

4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine (PubChem CID 65078655) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
PubChem CID65078655
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
SMILESCCCCCN(C)C1(CN)CCCN(CCC)CC1
InChIInChI=1S/C16H35N3/c1-4-6-7-12-18(3)16(15-17)9-8-13-19(11-5-2)14-10-16/h4-15,17H2,1-3H3
InChIKeyUOYMBGWDVFYFQR-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine (CID 65078655) is 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine is CCCCCN(C)C1(CN)CCCN(CCC)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine?
The InChIKey is UOYMBGWDVFYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-6-7-12-18(3)16(15-17)9-8-13-19(11-5-2)14-10-16/h4-15,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine has a molecular weight of 269.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine is sourced from PubChem (CID 65078655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).