1-(2-methylthiolan-2-yl)pent-4-en-1-amine

C10H19NS — CID 105153404

IUPAC1-(2-methylthiolan-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-3-4-6-9(11)10(2)7-5-8-12-10/h3,9H,1,4-8,11H2,2H3
InChIKeyPHLWEUYYJMBOKB-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-methylthiolan-2-yl)pent-4-en-1-amine

1-(2-methylthiolan-2-yl)pent-4-en-1-amine (PubChem CID 105153404) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)pent-4-en-1-amine
PubChem CID105153404
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(2-methylthiolan-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-3-4-6-9(11)10(2)7-5-8-12-10/h3,9H,1,4-8,11H2,2H3
InChIKeyPHLWEUYYJMBOKB-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 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 ≤ 52.57
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

2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
1-(2,3-Dihydrothiophen-3-yl)pentan-3-amine
CID 89073731
(1R)-1-(2,3-dihydrothiophen-2-yl)-2,2-dimethylpropan-1-amine
CID 89098949
1-(2,3-Dihydrothiophen-2-yl)-2,2-dimethylpropan-1-amine
CID 89205434
(1R,2S)-2-ethenyl-1-propan-2-ylsulfanyloctan-1-amine
CID 121264960
2-(2-decyl-3H-thiophen-2-yl)ethanamine
CID 122657118
Ethane;2-hex-5-enylthiolan-3-amine
CID 143949679
5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine
CID 163874396
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
1-Tert-butylsulfanylhept-6-en-2-amine
CID 65132430
N-methyl-1-(thiolan-2-yl)pent-4-en-1-amine
CID 80621534
3-Methyl-1-(thiolan-2-yl)but-3-en-1-amine
CID 80622006

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The IUPAC name of 1-(2-methylthiolan-2-yl)pent-4-en-1-amine (CID 105153404) is 1-(2-methylthiolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)pent-4-en-1-amine is C=CCCC(N)C1(C)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The InChIKey is PHLWEUYYJMBOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-4-6-9(11)10(2)7-5-8-12-10/h3,9H,1,4-8,11H2,2H3.
What are the key properties of 1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
1-(2-methylthiolan-2-yl)pent-4-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).