2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine

C14H29NS — CID 146513862

IUPAC2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine
SMILESC=CCSC(CC)CC(C)(C)NCC(C)C
InChIInChI=1S/C14H29NS/c1-7-9-16-13(8-2)10-14(5,6)15-11-12(3)4/h7,12-13,15H,1,8-11H2,2-6H3
InChIKeyDXTDTNLWYYQSHI-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.10
Rot. Bonds9

About 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine

2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine (PubChem CID 146513862) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine
PubChem CID146513862
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine
SMILESC=CCSC(CC)CC(C)(C)NCC(C)C
InChIInChI=1S/C14H29NS/c1-7-9-16-13(8-2)10-14(5,6)15-11-12(3)4/h7,12-13,15H,1,8-11H2,2-6H3
InChIKeyDXTDTNLWYYQSHI-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine (CID 146513862) is 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine is C=CCSC(CC)CC(C)(C)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine?
The InChIKey is DXTDTNLWYYQSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-7-9-16-13(8-2)10-14(5,6)15-11-12(3)4/h7,12-13,15H,1,8-11H2,2-6H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine?
2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine has a molecular weight of 243.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine is sourced from PubChem (CID 146513862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).