N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C14H27NS — CID 107267283

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCSC1(CNC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C14H27NS/c1-11(2)12-4-6-13(7-5-12)15-10-14(16-3)8-9-14/h11-13,15H,4-10H2,1-3H3
InChIKeyFLRGPGRYYDSCHL-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds5

About N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 107267283) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID107267283
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCSC1(CNC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C14H27NS/c1-11(2)12-4-6-13(7-5-12)15-10-14(16-3)8-9-14/h11-13,15H,4-10H2,1-3H3
InChIKeyFLRGPGRYYDSCHL-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 114115737
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823
N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 107266934
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974
N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 115689599
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115962

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 107267283) is N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CSC1(CNC2CCC(C(C)C)CC2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is FLRGPGRYYDSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-11(2)12-4-6-13(7-5-12)15-10-14(16-3)8-9-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107267283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).