N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine

C10H19NS — CID 115873128

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
SMILESC#CCCCN(C)C(C)CSC
InChIInChI=1S/C10H19NS/c1-5-6-7-8-11(3)10(2)9-12-4/h1,10H,6-9H2,2-4H3
InChIKeyZUWKCSBTFDJVJT-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds6

About N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine

N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine (PubChem CID 115873128) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
PubChem CID115873128
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
SMILESC#CCCCN(C)C(C)CSC
InChIInChI=1S/C10H19NS/c1-5-6-7-8-11(3)10(2)9-12-4/h1,10H,6-9H2,2-4H3
InChIKeyZUWKCSBTFDJVJT-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
CID 112667562
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582
N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
CID 115872924
methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
N-but-3-ynyl-N-methylpentan-3-amine
CID 63657244

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine (CID 115873128) is N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine is C#CCCCN(C)C(C)CSC.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine?
The InChIKey is ZUWKCSBTFDJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-6-7-8-11(3)10(2)9-12-4/h1,10H,6-9H2,2-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine?
N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine is sourced from PubChem (CID 115873128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).