N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H25NS — CID 64731685

IUPACN-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CC(C)CC(C)C2)s1
InChIInChI=1S/C15H25NS/c1-4-14-5-6-15(17-14)10-16-13-8-11(2)7-12(3)9-13/h5-6,11-13,16H,4,7-10H2,1-3H3
InChIKeyLKSKZDAPDVVEFV-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.22
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64731685) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64731685
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CC(C)CC(C)C2)s1
InChIInChI=1S/C15H25NS/c1-4-14-5-6-15(17-14)10-16-13-8-11(2)7-12(3)9-13/h5-6,11-13,16H,4,7-10H2,1-3H3
InChIKeyLKSKZDAPDVVEFV-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

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Related Compounds

5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093556
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115742240
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558997
N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 114136811
N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63996436
N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 106009339
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909543
N-[[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555649
1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
CID 62346420

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64731685) is N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine is CCc1ccc(CNC2CC(C)CC(C)C2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is LKSKZDAPDVVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-14-5-6-15(17-14)10-16-13-8-11(2)7-12(3)9-13/h5-6,11-13,16H,4,7-10H2,1-3H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-3,5-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]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64731685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).