N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine

C10H21NS — CID 104582576

IUPACN-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)CSC
InChIInChI=1S/C10H21NS/c1-5-6-7-9(2)11-10(3)8-12-4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyUYOCCNQAPDKZDA-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds7

About N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine

N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine (PubChem CID 104582576) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
PubChem CID104582576
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)CSC
InChIInChI=1S/C10H21NS/c1-5-6-7-9(2)11-10(3)8-12-4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyUYOCCNQAPDKZDA-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104582088
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956
5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine
CID 115721803
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
(3S)-3-methylhepta-1,6-diene
CID 145257056
N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine
CID 115721884
N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
N-hex-5-en-2-ylcyclopropanamine
CID 104581323
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine (CID 104582576) is N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine is C=CCCC(C)NC(C)CSC.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine?
The InChIKey is UYOCCNQAPDKZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-7-9(2)11-10(3)8-12-4/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine?
N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine is sourced from PubChem (CID 104582576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).