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

C13H25NS — CID 105153120

IUPACN-propyl-1-(thiolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCSC1
InChIInChI=1S/C13H25NS/c1-3-5-6-7-13(14-9-4-2)12-8-10-15-11-12/h3,12-14H,1,4-11H2,2H3
InChIKeyQIONUJFUMRIFRN-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.46
Rot. Bonds8

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

N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine (PubChem CID 105153120) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-(thiolan-3-yl)hex-5-en-1-amine
PubChem CID105153120
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-propyl-1-(thiolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCSC1
InChIInChI=1S/C13H25NS/c1-3-5-6-7-13(14-9-4-2)12-8-10-15-11-12/h3,12-14H,1,4-11H2,2H3
InChIKeyQIONUJFUMRIFRN-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.46
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

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
4-ethenyl-2-ethyl-N,8-dimethyl-9-methylsulfanyldodecan-1-amine
CID 123309984
3-(1-ethylsulfanylethyl)-N-oct-7-en-2-yl-5-thiabicyclo[2.1.0]pentan-2-amine
CID 123976331
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
1-N-[6-[3-methyl-4-(methylamino)thiolan-2-yl]hex-1-en-2-yl]hexane-1,5-diamine;prop-1-ene
CID 141828038
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

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine?
The IUPAC name of N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine (CID 105153120) is N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine.
What is the SMILES notation for N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine?
The canonical SMILES for N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine is C=CCCCC(NCCC)C1CCSC1.
What is the InChIKey of N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine?
The InChIKey is QIONUJFUMRIFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-3-5-6-7-13(14-9-4-2)12-8-10-15-11-12/h3,12-14H,1,4-11H2,2H3.
What are the key properties of N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine?
N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 105153120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).