(1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine

C17H26N2 — CID 148664940

IUPAC(1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine
SMILESNCC1(CN[C@H]2CC2c2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2/c18-12-17(9-5-2-6-10-17)13-19-16-11-15(16)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13,18H2/t15?,16-/m0/s1
InChIKeyNONWEYNCVPZACH-LYKKTTPLSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds5

About (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 148664940) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID148664940
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine
SMILESNCC1(CN[C@H]2CC2c2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2/c18-12-17(9-5-2-6-10-17)13-19-16-11-15(16)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13,18H2/t15?,16-/m0/s1
InChIKeyNONWEYNCVPZACH-LYKKTTPLSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine (CID 148664940) is (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine is NCC1(CN[C@H]2CC2c2ccccc2)CCCCC1.
What is the InChIKey of (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is NONWEYNCVPZACH-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H26N2/c18-12-17(9-5-2-6-10-17)13-19-16-11-15(16)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13,18H2/t15?,16-/m0/s1.
What are the key properties of (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 148664940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).