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

C16H33N3 — CID 65076225

IUPAC4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)CC2CCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-10-19-11-5-8-16(14-17,9-12-19)18(2)13-15-6-4-7-15/h15H,3-14,17H2,1-2H3
InChIKeyCKRPTXCUZPLFNX-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds6

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

4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine (PubChem CID 65076225) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
PubChem CID65076225
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)CC2CCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-10-19-11-5-8-16(14-17,9-12-19)18(2)13-15-6-4-7-15/h15H,3-14,17H2,1-2H3
InChIKeyCKRPTXCUZPLFNX-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine
CID 65075878
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
CID 65078374

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine (CID 65076225) is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine is CCCN1CCCC(CN)(N(C)CC2CCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine?
The InChIKey is CKRPTXCUZPLFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-10-19-11-5-8-16(14-17,9-12-19)18(2)13-15-6-4-7-15/h15H,3-14,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine?
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine is sourced from PubChem (CID 65076225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).