4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine

C11H23NS — CID 163971973

IUPAC4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine
SMILESCC=CC(CCCN)[C@@H](C)CSC
InChIInChI=1S/C11H23NS/c1-4-6-11(7-5-8-12)10(2)9-13-3/h4,6,10-11H,5,7-9,12H2,1-3H3/t10-,11?/m0/s1
InChIKeyHZAFOIRJRBSEMY-VUWPPUDQSA-N
MW201.38 g/mol
LogP2.92
Rot. Bonds7

About 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine

4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine (PubChem CID 163971973) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine.

Molecular Properties

Compound Name4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine
PubChem CID163971973
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine
SMILESCC=CC(CCCN)[C@@H](C)CSC
InChIInChI=1S/C11H23NS/c1-4-6-11(7-5-8-12)10(2)9-13-3/h4,6,10-11H,5,7-9,12H2,1-3H3/t10-,11?/m0/s1
InChIKeyHZAFOIRJRBSEMY-VUWPPUDQSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)
CID 163971972
2-(2,3-Dihydrothiophen-2-yl)pent-4-en-1-amine
CID 23567364
[6-[(Z)-3-(iodomethyl)hept-4-en-2-yl]sulfanylcyclohex-2-en-1-yl]methanamine
CID 68186767
2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine
CID 68810770
(3-Ethyl-5-methyl-2,3-dihydrothiophen-2-yl)methanamine
CID 89785613
1-(3-Ethyl-2,6-dimethylhept-5-enyl)sulfanylethanamine
CID 118911042
3,5-Dimethylnon-6-en-2-ylsulfanylmethanamine
CID 123335153
(Z)-3-ethenylsulfanyl-2-propan-2-ylpent-3-en-1-amine
CID 132123223
2-(4-Hexan-3-ylcyclohexa-2,4-dien-1-yl)sulfanylethanamine
CID 134316613
(6-Ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine
CID 134320290
(1S,5R)-2-but-1-en-2-ylsulfanyl-5-methylcyclohex-3-en-1-amine
CID 137432486
6-[(E)-4-methylpent-2-enyl]sulfanylhexan-1-amine
CID 138664888

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine?
The IUPAC name of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine (CID 163971973) is 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine.
What is the SMILES notation for 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine?
The canonical SMILES for 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine is CC=CC(CCCN)[C@@H](C)CSC.
What is the InChIKey of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine?
The InChIKey is HZAFOIRJRBSEMY-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-6-11(7-5-8-12)10(2)9-13-3/h4,6,10-11H,5,7-9,12H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine?
4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine is sourced from PubChem (CID 163971973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).