N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine

C14H27NS — CID 163863912

IUPACN,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine
SMILESCCCCN(CCCC)C1CC=C(SC)C1
InChIInChI=1S/C14H27NS/c1-4-6-10-15(11-7-5-2)13-8-9-14(12-13)16-3/h9,13H,4-8,10-12H2,1-3H3
InChIKeyPEYFTRQTLITJSN-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.30
Rot. Bonds8

About N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine

N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine (PubChem CID 163863912) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine
PubChem CID163863912
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine
SMILESCCCCN(CCCC)C1CC=C(SC)C1
InChIInChI=1S/C14H27NS/c1-4-6-10-15(11-7-5-2)13-8-9-14(12-13)16-3/h9,13H,4-8,10-12H2,1-3H3
InChIKeyPEYFTRQTLITJSN-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine
CID 20655853
(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine;ethane
CID 143858939
4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 152801435
trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-lambda4-sulfane
CID 175620306
(E)-hept-3-ene;2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
CID 177980516
(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine
CID 143858940

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine?
The IUPAC name of N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine (CID 163863912) is N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine.
What is the SMILES notation for N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine?
The canonical SMILES for N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine is CCCCN(CCCC)C1CC=C(SC)C1.
What is the InChIKey of N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine?
The InChIKey is PEYFTRQTLITJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-4-6-10-15(11-7-5-2)13-8-9-14(12-13)16-3/h9,13H,4-8,10-12H2,1-3H3.
What are the key properties of N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine?
N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine has a molecular weight of 241.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine is sourced from PubChem (CID 163863912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).