4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine

C14H23NS — CID 63247711

IUPAC4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C14H23NS/c1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12/h7-8,10-11,13-15H,3-6,9H2,1-2H3
InChIKeyTZHQLYDTIGNXKJ-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.05
Rot. Bonds4

About 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine

4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 63247711) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID63247711
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C14H23NS/c1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12/h7-8,10-11,13-15H,3-6,9H2,1-2H3
InChIKeyTZHQLYDTIGNXKJ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
CID 63248071
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
CID 65423218
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 71743675
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 115970469
2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 126979225

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 63247711) is 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is CC(C)C1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is TZHQLYDTIGNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12/h7-8,10-11,13-15H,3-6,9H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63247711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).