N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine

C9H19NS — CID 105163441

IUPACN,5-dimethyl-1-methylsulfanylhex-4-en-3-amine
SMILESCNC(C=C(C)C)CCSC
InChIInChI=1S/C9H19NS/c1-8(2)7-9(10-3)5-6-11-4/h7,9-10H,5-6H2,1-4H3
InChIKeyZVFDLGKZBBAUCV-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.29
Rot. Bonds5

About N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine

N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine (PubChem CID 105163441) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-methylsulfanylhex-4-en-3-amine
PubChem CID105163441
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN,5-dimethyl-1-methylsulfanylhex-4-en-3-amine
SMILESCNC(C=C(C)C)CCSC
InChIInChI=1S/C9H19NS/c1-8(2)7-9(10-3)5-6-11-4/h7,9-10H,5-6H2,1-4H3
InChIKeyZVFDLGKZBBAUCV-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.29
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

(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88534300
(3S)-N-(fluoromethyl)-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 90047894
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87280201
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89229161
(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine
CID 89256497

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine?
The IUPAC name of N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine (CID 105163441) is N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine.
What is the SMILES notation for N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine?
The canonical SMILES for N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine is CNC(C=C(C)C)CCSC.
What is the InChIKey of N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine?
The InChIKey is ZVFDLGKZBBAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)7-9(10-3)5-6-11-4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine?
N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine is sourced from PubChem (CID 105163441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).