3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine

C14H30N2S — CID 114285201

IUPAC3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine
SMILESCCCCN(CCCC)C1(CN)CSCC1C
InChIInChI=1S/C14H30N2S/c1-4-6-8-16(9-7-5-2)14(11-15)12-17-10-13(14)3/h13H,4-12,15H2,1-3H3
InChIKeyBGXUUHBVFNTYPV-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.97
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine

3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine (PubChem CID 114285201) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine
PubChem CID114285201
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine
SMILESCCCCN(CCCC)C1(CN)CSCC1C
InChIInChI=1S/C14H30N2S/c1-4-6-8-16(9-7-5-2)14(11-15)12-17-10-13(14)3/h13H,4-12,15H2,1-3H3
InChIKeyBGXUUHBVFNTYPV-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
CID 81321456
3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine
CID 82717384
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
1-(aminomethyl)-N-butyl-N-cyclopropyl-2-methylcyclopentan-1-amine
CID 65044786
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
CID 106663071
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
CID 64762174
3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
CID 82717640
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
CID 64754111
3-(aminomethyl)-N-butyl-1-cyclopropyl-N-ethylpyrrolidin-3-amine
CID 62975638
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682311
3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131841

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine (CID 114285201) is 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine is CCCCN(CCCC)C1(CN)CSCC1C.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine?
The InChIKey is BGXUUHBVFNTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-4-6-8-16(9-7-5-2)14(11-15)12-17-10-13(14)3/h13H,4-12,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine?
3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine has a molecular weight of 258.47 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine is sourced from PubChem (CID 114285201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).