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

C15H29NS — CID 114115737

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCSC1(CNC2CCC(C(C)C)CC2)CCC1
InChIInChI=1S/C15H29NS/c1-12(2)13-5-7-14(8-6-13)16-11-15(17-3)9-4-10-15/h12-14,16H,4-11H2,1-3H3
InChIKeySASIDCKJTIHACX-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.08
Rot. Bonds5

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

N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 114115737) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID114115737
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCSC1(CNC2CCC(C(C)C)CC2)CCC1
InChIInChI=1S/C15H29NS/c1-12(2)13-5-7-14(8-6-13)16-11-15(17-3)9-4-10-15/h12-14,16H,4-11H2,1-3H3
InChIKeySASIDCKJTIHACX-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 107267283
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 107266934
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823
3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115962
2,2-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclopentan-1-amine
CID 107269703
3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 114116040
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 114115737) is N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CSC1(CNC2CCC(C(C)C)CC2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is SASIDCKJTIHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-12(2)13-5-7-14(8-6-13)16-11-15(17-3)9-4-10-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 255.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114115737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).