3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine

C13H26N2S — CID 107397873

IUPAC3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
SMILESCCN(CC1CCC1)C1(CN)CCCSC1
InChIInChI=1S/C13H26N2S/c1-2-15(9-12-5-3-6-12)13(10-14)7-4-8-16-11-13/h12H,2-11,14H2,1H3
InChIKeyJZMUAQFYZDMZIF-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds5

About 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine

3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine (PubChem CID 107397873) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
PubChem CID107397873
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
SMILESCCN(CC1CCC1)C1(CN)CCCSC1
InChIInChI=1S/C13H26N2S/c1-2-15(9-12-5-3-6-12)13(10-14)7-4-8-16-11-13/h12H,2-11,14H2,1H3
InChIKeyJZMUAQFYZDMZIF-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
CID 62873285
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
8-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylspiro[4.5]decan-8-amine
CID 107397723
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 107397751
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 107397649
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
3-(aminomethyl)-N,N-bis(3-methylbutyl)thian-3-amine
CID 107869460
N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine
CID 62872399
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine (CID 107397873) is 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine is CCN(CC1CCC1)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine?
The InChIKey is JZMUAQFYZDMZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-15(9-12-5-3-6-12)13(10-14)7-4-8-16-11-13/h12H,2-11,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine?
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine is sourced from PubChem (CID 107397873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).