2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine

C11H21NS — CID 105163664

IUPAC2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCSC1
InChIInChI=1S/C11H21NS/c1-4-6-12-11(9(2)3)10-5-7-13-8-10/h10-12H,2,4-8H2,1,3H3
InChIKeyGHZYQSHZAURQCQ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine

2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine (PubChem CID 105163664) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine
PubChem CID105163664
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCSC1
InChIInChI=1S/C11H21NS/c1-4-6-12-11(9(2)3)10-5-7-13-8-10/h10-12H,2,4-8H2,1,3H3
InChIKeyGHZYQSHZAURQCQ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
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

2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586
(3S)-N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88936056
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 89215267
N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89738367
(3S)-N-ethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89976814
(2S)-3-methylidene-2-(2-methylsulfanylethyl)pyrrolidine
CID 90184361
N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 121420026
4-Methyl-2-(1-methylsulfanylethenyl)pyrrolidine
CID 123498185
N,2-dimethyl-5-prop-1-en-2-ylsulfanylhex-1-en-3-amine
CID 156206948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine (CID 105163664) is 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine is C=C(C)C(NCCC)C1CCSC1.
What is the InChIKey of 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine?
The InChIKey is GHZYQSHZAURQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-6-12-11(9(2)3)10-5-7-13-8-10/h10-12H,2,4-8H2,1,3H3.
What are the key properties of 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine?
2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105163664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).