5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine

C14H31NS — CID 65131446

IUPAC5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)CSC(C)C
InChIInChI=1S/C14H31NS/c1-7-10-15-13(11-16-12(2)3)8-9-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyBFPVOTKNKIZQNC-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds8

About 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine

5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine (PubChem CID 65131446) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
PubChem CID65131446
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)CSC(C)C
InChIInChI=1S/C14H31NS/c1-7-10-15-13(11-16-12(2)3)8-9-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyBFPVOTKNKIZQNC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-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

2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
1-N,1-N,5,5-tetramethyl-2-N-propylhexane-1,2-diamine
CID 79088484
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516904
1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
CID 103516584
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine?
The IUPAC name of 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine (CID 65131446) is 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine.
What is the SMILES notation for 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine?
The canonical SMILES for 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)C)CSC(C)C.
What is the InChIKey of 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine?
The InChIKey is BFPVOTKNKIZQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-7-10-15-13(11-16-12(2)3)8-9-14(4,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine?
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine is sourced from PubChem (CID 65131446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).