4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine

C17H35N3 — CID 65078374

IUPAC4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
SMILESCCCCN(C1CC1)C1(CN)CCCN(CCC)CC1
InChIInChI=1S/C17H35N3/c1-3-5-13-20(16-7-8-16)17(15-18)9-6-12-19(11-4-2)14-10-17/h16H,3-15,18H2,1-2H3
InChIKeyQMYVBLXFKYUENB-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.84
Rot. Bonds8

About 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine

4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine (PubChem CID 65078374) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
PubChem CID65078374
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
SMILESCCCCN(C1CC1)C1(CN)CCCN(CCC)CC1
InChIInChI=1S/C17H35N3/c1-3-5-13-20(16-7-8-16)17(15-18)9-6-12-19(11-4-2)14-10-17/h16H,3-15,18H2,1-2H3
InChIKeyQMYVBLXFKYUENB-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
CID 79521257
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
1-(aminomethyl)-N-butyl-N-cyclopropyl-4-ethylcycloheptan-1-amine
CID 65087923
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
CID 65075349
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
1-(aminomethyl)-N-cyclopropyl-N-propylcyclohexan-1-amine
CID 43270236
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine (CID 65078374) is 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine is CCCCN(C1CC1)C1(CN)CCCN(CCC)CC1.
What is the InChIKey of 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine?
The InChIKey is QMYVBLXFKYUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-5-13-20(16-7-8-16)17(15-18)9-6-12-19(11-4-2)14-10-17/h16H,3-15,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine?
4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine is sourced from PubChem (CID 65078374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).