4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine

C17H28N2 — CID 115149890

IUPAC4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCc1ccc(CCNC2CCC(N)CC2)c(C)c1C
InChIInChI=1S/C17H28N2/c1-12-4-5-15(14(3)13(12)2)10-11-19-17-8-6-16(18)7-9-17/h4-5,16-17,19H,6-11,18H2,1-3H3
InChIKeyCSMWCMOMPAXAHR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.01
Rot. Bonds4

About 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine

4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 115149890) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID115149890
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCc1ccc(CCNC2CCC(N)CC2)c(C)c1C
InChIInChI=1S/C17H28N2/c1-12-4-5-15(14(3)13(12)2)10-11-19-17-8-6-16(18)7-9-17/h4-5,16-17,19H,6-11,18H2,1-3H3
InChIKeyCSMWCMOMPAXAHR-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 115149878
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine (CID 115149890) is 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine is Cc1ccc(CCNC2CCC(N)CC2)c(C)c1C.
What is the InChIKey of 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is CSMWCMOMPAXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-4-5-15(14(3)13(12)2)10-11-19-17-8-6-16(18)7-9-17/h4-5,16-17,19H,6-11,18H2,1-3H3.
What are the key properties of 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).