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

C17H29N3 — CID 65384423

IUPAC4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NCc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-2-11-20-12-6-9-17(15-18,10-13-20)19-14-16-7-4-3-5-8-16/h3-5,7-8,19H,2,6,9-15,18H2,1H3
InChIKeyUWMAKXNVXNAHCW-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.37
Rot. Bonds6

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

4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine (PubChem CID 65384423) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
PubChem CID65384423
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NCc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-2-11-20-12-6-9-17(15-18,10-13-20)19-14-16-7-4-3-5-8-16/h3-5,7-8,19H,2,6,9-15,18H2,1H3
InChIKeyUWMAKXNVXNAHCW-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-benzylcyclobutan-1-amine
CID 79521095
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
CID 65384430
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
CID 65378386
4-(aminomethyl)-1-propyl-N-prop-2-ynylpiperidin-4-amine
CID 65381576
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine (CID 65384423) is 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine is CCCN1CCCC(CN)(NCc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine?
The InChIKey is UWMAKXNVXNAHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-11-20-12-6-9-17(15-18,10-13-20)19-14-16-7-4-3-5-8-16/h3-5,7-8,19H,2,6,9-15,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine?
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine has a molecular weight of 275.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine is sourced from PubChem (CID 65384423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).