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

C18H28N2 — CID 104678843

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
SMILESNCC1(CCNC2CC2c2ccccc2)CCCCC1
InChIInChI=1S/C18H28N2/c19-14-18(9-5-2-6-10-18)11-12-20-17-13-16(17)15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14,19H2
InChIKeyGNZAOFBHVBEDAR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds6

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

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 104678843) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
PubChem CID104678843
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
SMILESNCC1(CCNC2CC2c2ccccc2)CCCCC1
InChIInChI=1S/C18H28N2/c19-14-18(9-5-2-6-10-18)11-12-20-17-13-16(17)15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14,19H2
InChIKeyGNZAOFBHVBEDAR-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Prenylamine
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(1R,2S)-Tranylcypromine
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Terodiline Hydrochloride
CID 23479
N-Ethylamphetamine
CID 9982
4-Benzhydrylpiperidine
CID 88278
(+)-Tranylcypromine
CID 26070
(1R)-2-phenylcyclopropan-1-amine
CID 441233
2-Diphenylmethylpiperidine
CID 160506
Iadademstat
CID 71543365
Propylamphetamine
CID 103544

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine (CID 104678843) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine is NCC1(CCNC2CC2c2ccccc2)CCCCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is GNZAOFBHVBEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c19-14-18(9-5-2-6-10-18)11-12-20-17-13-16(17)15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14,19H2.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 104678843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).