3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C14H24N2S — CID 113489960

IUPAC3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCN(Cc1cccs1)C(C)(CN)CC1CCC1
InChIInChI=1S/C14H24N2S/c1-14(11-15,9-12-5-3-6-12)16(2)10-13-7-4-8-17-13/h4,7-8,12H,3,5-6,9-11,15H2,1-2H3
InChIKeyKOWMEQIYIPTGNH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds6

About 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 113489960) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID113489960
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCN(Cc1cccs1)C(C)(CN)CC1CCC1
InChIInChI=1S/C14H24N2S/c1-14(11-15,9-12-5-3-6-12)16(2)10-13-7-4-8-17-13/h4,7-8,12H,3,5-6,9-11,15H2,1-2H3
InChIKeyKOWMEQIYIPTGNH-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene
CID 57153297
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 62421915
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 113440590
3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 115134103
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 66180831
2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 114275023
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 113489960) is 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CN(Cc1cccs1)C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is KOWMEQIYIPTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(11-15,9-12-5-3-6-12)16(2)10-13-7-4-8-17-13/h4,7-8,12H,3,5-6,9-11,15H2,1-2H3.
What are the key properties of 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 113489960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).