(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine

C8H18N2S — CID 163865889

IUPAC(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine
SMILESCCCC/C(N)=C\SNCC
InChIInChI=1S/C8H18N2S/c1-3-5-6-8(9)7-11-10-4-2/h7,10H,3-6,9H2,1-2H3/b8-7+
InChIKeyPGOPUASSEHNEHC-BQYQJAHWSA-N
MW174.31 g/mol
LogP2.23
Rot. Bonds6

About (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine

(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine (PubChem CID 163865889) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine
PubChem CID163865889
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine
SMILESCCCC/C(N)=C\SNCC
InChIInChI=1S/C8H18N2S/c1-3-5-6-8(9)7-11-10-4-2/h7,10H,3-6,9H2,1-2H3/b8-7+
InChIKeyPGOPUASSEHNEHC-BQYQJAHWSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminohex-1-enoxy)hex-1-en-2-amine
CID 141196870
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
(E)-dec-1-ene-1,2-diamine
CID 87327630
(Z)-dodec-3-en-4-amine
CID 21249690
(E)-octadec-9-en-9-amine
CID 146566069
(E)-1-N'-dodecylprop-1-ene-1,1-diamine
CID 87082536
dodec-2-ene-1,3-diamine
CID 173393775
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
pentanethioamide;hydrochloride
CID 140974365
acetamide;pentanamide
CID 158041283
3-methylhept-2-en-2-amine
CID 87258436

Frequently Asked Questions

What is the IUPAC name of (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine?
The IUPAC name of (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine (CID 163865889) is (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine.
What is the SMILES notation for (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine?
The canonical SMILES for (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine is CCCC/C(N)=C\SNCC.
What is the InChIKey of (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine?
The InChIKey is PGOPUASSEHNEHC-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-5-6-8(9)7-11-10-4-2/h7,10H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine?
(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine has a molecular weight of 174.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(ethylaminosulfanyl)hex-1-en-2-amine is sourced from PubChem (CID 163865889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).