N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H25NS — CID 63996436

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CCC(C)CC2C)s1
InChIInChI=1S/C15H25NS/c1-4-13-6-7-14(17-13)10-16-15-8-5-11(2)9-12(15)3/h6-7,11-12,15-16H,4-5,8-10H2,1-3H3
InChIKeyDPWXFNHMURDEEU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.22
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63996436) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63996436
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CCC(C)CC2C)s1
InChIInChI=1S/C15H25NS/c1-4-13-6-7-14(17-13)10-16-15-8-5-11(2)9-12(15)3/h6-7,11-12,15-16H,4-5,8-10H2,1-3H3
InChIKeyDPWXFNHMURDEEU-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 114136811
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909543
5-[[(2,4-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675868
N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685
N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106009527
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403838
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 104926931
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170767
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63996436) is N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine is CCc1ccc(CNC2CCC(C)CC2C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is DPWXFNHMURDEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-13-6-7-14(17-13)10-16-15-8-5-11(2)9-12(15)3/h6-7,11-12,15-16H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63996436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).