6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine

C14H31NS — CID 107763800

IUPAC6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCSCC(C)CC
InChIInChI=1S/C14H31NS/c1-5-10-15-14(4)9-7-8-11-16-12-13(3)6-2/h13-15H,5-12H2,1-4H3
InChIKeyLPPJRTZRVOPXKA-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds11

About 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine

6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine (PubChem CID 107763800) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine
PubChem CID107763800
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCSCC(C)CC
InChIInChI=1S/C14H31NS/c1-5-10-15-14(4)9-7-8-11-16-12-13(3)6-2/h13-15H,5-12H2,1-4H3
InChIKeyLPPJRTZRVOPXKA-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylbutylsulfanyl)ethyl]heptan-2-amine
CID 107757450
N-propylnonan-2-amine
CID 43129664
3-[5-(propylamino)hexylsulfanyl]butan-1-ol
CID 66137562
4-(2-methylbutylsulfanyl)butane-1-thiol
CID 107766515
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
4-butan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64614458
N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine
CID 107757462
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine?
The IUPAC name of 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine (CID 107763800) is 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine.
What is the SMILES notation for 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine?
The canonical SMILES for 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine is CCCNC(C)CCCCSCC(C)CC.
What is the InChIKey of 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine?
The InChIKey is LPPJRTZRVOPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-5-10-15-14(4)9-7-8-11-16-12-13(3)6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine?
6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine is sourced from PubChem (CID 107763800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).