N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine

C14H29NS — CID 107762877

IUPACN,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine
SMILESCCCCCSC1C(C)CC(C)CC1NC
InChIInChI=1S/C14H29NS/c1-5-6-7-8-16-14-12(3)9-11(2)10-13(14)15-4/h11-15H,5-10H2,1-4H3
InChIKeyDFWXJHMSTNQUSC-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.93
Rot. Bonds6

About N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine

N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine (PubChem CID 107762877) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine
PubChem CID107762877
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine
SMILESCCCCCSC1C(C)CC(C)CC1NC
InChIInChI=1S/C14H29NS/c1-5-6-7-8-16-14-12(3)9-11(2)10-13(14)15-4/h11-15H,5-10H2,1-4H3
InChIKeyDFWXJHMSTNQUSC-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,3,5-trimethyl-2-pentylsulfanylcyclohexan-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,3,5-trimethyl-2-pentoxycyclohexan-1-amine
CID 64753575
2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
CID 64905748
2-(4-tert-butylphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
CID 64736765
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
3-(2-amino-4,6-dimethylcyclohexyl)sulfanylpropan-1-ol
CID 66126008
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
hexylsulfanylcyclopentane
CID 534970
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine (CID 107762877) is N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine is CCCCCSC1C(C)CC(C)CC1NC.
What is the InChIKey of N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine?
The InChIKey is DFWXJHMSTNQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-6-7-8-16-14-12(3)9-11(2)10-13(14)15-4/h11-15H,5-10H2,1-4H3.
What are the key properties of N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine?
N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 107762877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).