1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine

C19H32N2 — CID 65193341

IUPAC1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(NC(C)c2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-3-8-17-9-7-13-19(15-20,14-12-17)21-16(2)18-10-5-4-6-11-18/h4-6,10-11,16-17,21H,3,7-9,12-15,20H2,1-2H3
InChIKeyYAPBWSJSTYNYDG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.42
Rot. Bonds6

About 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine (PubChem CID 65193341) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
PubChem CID65193341
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(NC(C)c2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-3-8-17-9-7-13-19(15-20,14-12-17)21-16(2)18-10-5-4-6-11-18/h4-6,10-11,16-17,21H,3,7-9,12-15,20H2,1-2H3
InChIKeyYAPBWSJSTYNYDG-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine (CID 65193341) is 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine?
The InChIKey is YAPBWSJSTYNYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-8-17-9-7-13-19(15-20,14-12-17)21-16(2)18-10-5-4-6-11-18/h4-6,10-11,16-17,21H,3,7-9,12-15,20H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65193341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).