N-decylsulfanylhept-1-en-3-amine

C17H35NS — CID 142841191

IUPACN-decylsulfanylhept-1-en-3-amine
SMILESC=CC(CCCC)NSCCCCCCCCCC
InChIInChI=1S/C17H35NS/c1-4-7-9-10-11-12-13-14-16-19-18-17(6-3)15-8-5-2/h6,17-18H,3-5,7-16H2,1-2H3
InChIKeyJYMRGIUHYRPTSP-UHFFFAOYSA-N
MW285.54 g/mol
LogP6.11
Rot. Bonds15

About N-decylsulfanylhept-1-en-3-amine

N-decylsulfanylhept-1-en-3-amine (PubChem CID 142841191) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is N-decylsulfanylhept-1-en-3-amine.

Molecular Properties

Compound NameN-decylsulfanylhept-1-en-3-amine
PubChem CID142841191
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC NameN-decylsulfanylhept-1-en-3-amine
SMILESC=CC(CCCC)NSCCCCCCCCCC
InChIInChI=1S/C17H35NS/c1-4-7-9-10-11-12-13-14-16-19-18-17(6-3)15-8-5-2/h6,17-18H,3-5,7-16H2,1-2H3
InChIKeyJYMRGIUHYRPTSP-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylnon-1-en-3-amine
CID 91313419
N-ethenylhept-1-en-3-amine
CID 142241347
butane;ethane;N-octylsulfanylhexadecan-8-amine
CID 156639827
N-heptylsulfanylethanamine
CID 167262676
N-undecylsulfanylethanamine
CID 21248622
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
ethenol;heptadecane
CID 158851930
ethane;9-ethenylheptadecane;octane
CID 168985515
heptadec-1-en-3-yl(trimethyl)azanium
CID 175545387
N-pentylsulfanylhydroxylamine
CID 88662679
1-(difluoromethylsulfanyl)hexane
CID 162535464

Frequently Asked Questions

What is the IUPAC name of N-decylsulfanylhept-1-en-3-amine?
The IUPAC name of N-decylsulfanylhept-1-en-3-amine (CID 142841191) is N-decylsulfanylhept-1-en-3-amine.
What is the SMILES notation for N-decylsulfanylhept-1-en-3-amine?
The canonical SMILES for N-decylsulfanylhept-1-en-3-amine is C=CC(CCCC)NSCCCCCCCCCC.
What is the InChIKey of N-decylsulfanylhept-1-en-3-amine?
The InChIKey is JYMRGIUHYRPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-4-7-9-10-11-12-13-14-16-19-18-17(6-3)15-8-5-2/h6,17-18H,3-5,7-16H2,1-2H3.
What are the key properties of N-decylsulfanylhept-1-en-3-amine?
N-decylsulfanylhept-1-en-3-amine has a molecular weight of 285.54 g/mol, XLogP of 6.11, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylsulfanylhept-1-en-3-amine is sourced from PubChem (CID 142841191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).