1-N-(2-phenylethyl)cyclohexane-1,3-diamine

C14H22N2 — CID 79459302

IUPAC1-N-(2-phenylethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCc2ccccc2)C1
InChIInChI=1S/C14H22N2/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11,15H2
InChIKeyQISVAEBUPQPFHA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.09
Rot. Bonds4

About 1-N-(2-phenylethyl)cyclohexane-1,3-diamine

1-N-(2-phenylethyl)cyclohexane-1,3-diamine (PubChem CID 79459302) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-(2-phenylethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-phenylethyl)cyclohexane-1,3-diamine
PubChem CID79459302
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N-(2-phenylethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCc2ccccc2)C1
InChIInChI=1S/C14H22N2/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11,15H2
InChIKeyQISVAEBUPQPFHA-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222656
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
2,2-diphenyl-2-[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]acetonitrile
CID 70303221
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
CID 79458882
1-N-propylcyclohexane-1,3-diamine
CID 22026573
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
(3R)-3-benzylcyclohexan-1-amine
CID 168960646

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-phenylethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-phenylethyl)cyclohexane-1,3-diamine (CID 79459302) is 1-N-(2-phenylethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-phenylethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-phenylethyl)cyclohexane-1,3-diamine is NC1CCCC(NCCc2ccccc2)C1.
What is the InChIKey of 1-N-(2-phenylethyl)cyclohexane-1,3-diamine?
The InChIKey is QISVAEBUPQPFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11,15H2.
What are the key properties of 1-N-(2-phenylethyl)cyclohexane-1,3-diamine?
1-N-(2-phenylethyl)cyclohexane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-phenylethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).