N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine

C14H28N2S — CID 159256415

IUPACN'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine
SMILESCCCC=CNCCCCCNC=CSCC
InChIInChI=1S/C14H28N2S/c1-3-5-7-10-15-11-8-6-9-12-16-13-14-17-4-2/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3
InChIKeyGITNKVYLQAFKCK-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.87
Rot. Bonds12

About N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine

N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine (PubChem CID 159256415) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine
PubChem CID159256415
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine
SMILESCCCC=CNCCCCCNC=CSCC
InChIInChI=1S/C14H28N2S/c1-3-5-7-10-15-11-8-6-9-12-16-13-14-17-4-2/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3
InChIKeyGITNKVYLQAFKCK-UHFFFAOYSA-N
XLogP3.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hexylamino 4h thiopyran
CID 129814073
2-methylsulfanyl-2,3,4,5-tetrahydro-1H-azepine
CID 70439096
(Z)-N-methyl-5-(methylaminomethylsulfanyl)pent-1-en-1-amine
CID 88284561
(E)-N,N'-dimethylhex-1-ene-1,6-diamine
CID 129048605
5-[1-(ethenylamino)propylsulfanyl]-N-methylhept-1-en-2-amine
CID 132132088
(E)-N-ethenyl-4-methyl-6-(3-methylpenta-1,3,4-trien-2-ylsulfanyl)hex-5-en-1-amine
CID 138475266
Butane;7-(ethenylamino)hept-1-ene-3-thiol
CID 143368931
ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine
CID 145342944
N-methyl-5-[5-(methylamino)pent-1-enylsulfanyl]pent-4-en-1-amine
CID 149710759
N,N'-dimethylhex-1-ene-1,6-diamine
CID 154061967
(2S)-4-[[(Z)-pent-1-enyl]amino]butane-2-thiol
CID 164174710
4-Methylsulfanyl-1,2,3,4-tetrahydropyridine
CID 166850744

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine?
The IUPAC name of N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine (CID 159256415) is N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine.
What is the SMILES notation for N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine?
The canonical SMILES for N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine is CCCC=CNCCCCCNC=CSCC.
What is the InChIKey of N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine?
The InChIKey is GITNKVYLQAFKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-5-7-10-15-11-8-6-9-12-16-13-14-17-4-2/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine?
N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine has a molecular weight of 256.46 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfanylethenyl)-N-pent-1-enylpentane-1,5-diamine is sourced from PubChem (CID 159256415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).