1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine

C14H24N2S — CID 55021714

IUPAC1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
SMILESCCCN(CC1CC1)C(c1cccs1)C(C)N
InChIInChI=1S/C14H24N2S/c1-3-8-16(10-12-6-7-12)14(11(2)15)13-5-4-9-17-13/h4-5,9,11-12,14H,3,6-8,10,15H2,1-2H3
InChIKeyMCOKDSIWJFQJFO-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.26
Rot. Bonds7

About 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine (PubChem CID 55021714) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
PubChem CID55021714
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
SMILESCCCN(CC1CC1)C(c1cccs1)C(C)N
InChIInChI=1S/C14H24N2S/c1-3-8-16(10-12-6-7-12)14(11(2)15)13-5-4-9-17-13/h4-5,9,11-12,14H,3,6-8,10,15H2,1-2H3
InChIKeyMCOKDSIWJFQJFO-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79715760
1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
CID 63955105
1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55021776
2-amino-N-(cyclopropylmethyl)-N-propyl-2-thiophen-2-ylacetamide
CID 115286111
1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021667
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556875
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450
1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021814
1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55022144
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
CID 55022203
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 62698501

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine (CID 55021714) is 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine is CCCN(CC1CC1)C(c1cccs1)C(C)N.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine?
The InChIKey is MCOKDSIWJFQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-8-16(10-12-6-7-12)14(11(2)15)13-5-4-9-17-13/h4-5,9,11-12,14H,3,6-8,10,15H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55021714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).