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

C13H22N2S — CID 115149897

IUPAC4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
SMILESCc1ccsc1CCNC1CCC(N)CC1
InChIInChI=1S/C13H22N2S/c1-10-7-9-16-13(10)6-8-15-12-4-2-11(14)3-5-12/h7,9,11-12,15H,2-6,8,14H2,1H3
InChIKeyPHIHKQVCJNOGPP-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.46
Rot. Bonds4

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

4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine (PubChem CID 115149897) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
PubChem CID115149897
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
SMILESCc1ccsc1CCNC1CCC(N)CC1
InChIInChI=1S/C13H22N2S/c1-10-7-9-16-13(10)6-8-15-12-4-2-11(14)3-5-12/h7,9,11-12,15H,2-6,8,14H2,1H3
InChIKeyPHIHKQVCJNOGPP-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
CID 115897898
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
CID 115898793
4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149890
N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386996
N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 115206808
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
1-cyclopropyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 78989976
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine (CID 115149897) is 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine is Cc1ccsc1CCNC1CCC(N)CC1.
What is the InChIKey of 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is PHIHKQVCJNOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-7-9-16-13(10)6-8-15-12-4-2-11(14)3-5-12/h7,9,11-12,15H,2-6,8,14H2,1H3.
What are the key properties of 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine?
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).