1-(thiolan-3-yl)hex-5-en-1-amine

C10H19NS — CID 105153201

IUPAC1-(thiolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCSC1
InChIInChI=1S/C10H19NS/c1-2-3-4-5-10(11)9-6-7-12-8-9/h2,9-10H,1,3-8,11H2
InChIKeySEJUCAUAQPPGIY-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.42
Rot. Bonds5

About 1-(thiolan-3-yl)hex-5-en-1-amine

1-(thiolan-3-yl)hex-5-en-1-amine (PubChem CID 105153201) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(thiolan-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(thiolan-3-yl)hex-5-en-1-amine
PubChem CID105153201
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(thiolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCSC1
InChIInChI=1S/C10H19NS/c1-2-3-4-5-10(11)9-6-7-12-8-9/h2,9-10H,1,3-8,11H2
InChIKeySEJUCAUAQPPGIY-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dipentyl-2,3-bis(prop-2-enyl)thian-4-amine
CID 70522982
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
(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine
CID 89353302
2-But-1-en-2-ylsulfanyl-3-methylnonan-1-amine
CID 90760335
(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
4-(5-But-3-enyldithiolan-3-yl)-3-methylbutan-1-amine
CID 152964421
CID 156422232
CID 156422232
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
1-(Thiolan-2-yl)pent-4-en-1-amine
CID 80622124

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)hex-5-en-1-amine?
The IUPAC name of 1-(thiolan-3-yl)hex-5-en-1-amine (CID 105153201) is 1-(thiolan-3-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(thiolan-3-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(thiolan-3-yl)hex-5-en-1-amine is C=CCCCC(N)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)hex-5-en-1-amine?
The InChIKey is SEJUCAUAQPPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-3-4-5-10(11)9-6-7-12-8-9/h2,9-10H,1,3-8,11H2.
What are the key properties of 1-(thiolan-3-yl)hex-5-en-1-amine?
1-(thiolan-3-yl)hex-5-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 105153201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).