N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine

C10H19NS — CID 105108392

IUPACN-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-4-6-9(11-3)10(2)7-5-8-12-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyDMAQMAUCMYGJTO-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine

N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine (PubChem CID 105108392) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
PubChem CID105108392
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-4-6-9(11-3)10(2)7-5-8-12-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyDMAQMAUCMYGJTO-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.44
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-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
3-(1-ethylsulfanylethyl)-N-oct-7-en-2-yl-5-thiabicyclo[2.1.0]pentan-2-amine
CID 123976331
(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
CID 146226420
N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
CID 163708929
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
4-methyl-N-[2-[(1Z)-penta-1,4-dienyl]sulfanylethyl]hexan-2-amine
CID 174249079
N-(cyclohex-3-en-1-ylmethyl)thiolan-3-amine
CID 61951484
N-methyl-1-methylsulfanylhept-6-en-2-amine
CID 64299382

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine (CID 105108392) is N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine is C=CCC(NC)C1(C)CCCS1.
What is the InChIKey of N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
The InChIKey is DMAQMAUCMYGJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-6-9(11-3)10(2)7-5-8-12-10/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 105108392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).