N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine

C14H24N2S — CID 113440590

IUPACN-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-12(4-2-8-15)10-16(13-6-7-13)11-14-5-3-9-17-14/h3,5,9,12-13H,2,4,6-8,10-11,15H2,1H3
InChIKeyGEMFEUNUDOTULX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds8

About N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine

N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine (PubChem CID 113440590) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
PubChem CID113440590
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-12(4-2-8-15)10-16(13-6-7-13)11-14-5-3-9-17-14/h3,5,9,12-13H,2,4,6-8,10-11,15H2,1H3
InChIKeyGEMFEUNUDOTULX-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-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

N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
[(2R)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 93147255
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine (CID 113440590) is N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine is CC(CCCN)CN(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is GEMFEUNUDOTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(4-2-8-15)10-16(13-6-7-13)11-14-5-3-9-17-14/h3,5,9,12-13H,2,4,6-8,10-11,15H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 113440590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).