N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

C13H22N2S — CID 142036010

IUPACN'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESc1csc(CNCCCNC2CCCC2)c1
InChIInChI=1S/C13H22N2S/c1-2-6-12(5-1)15-9-4-8-14-11-13-7-3-10-16-13/h3,7,10,12,14-15H,1-2,4-6,8-9,11H2
InChIKeyXAJQFPIVWYQHKW-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.76
Rot. Bonds7

About N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 142036010) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID142036010
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESc1csc(CNCCCNC2CCCC2)c1
InChIInChI=1S/C13H22N2S/c1-2-6-12(5-1)15-9-4-8-14-11-13-7-3-10-16-13/h3,7,10,12,14-15H,1-2,4-6,8-9,11H2
InChIKeyXAJQFPIVWYQHKW-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 171352452
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 142036010) is N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is c1csc(CNCCCNC2CCCC2)c1.
What is the InChIKey of N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is XAJQFPIVWYQHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-6-12(5-1)15-9-4-8-14-11-13-7-3-10-16-13/h3,7,10,12,14-15H,1-2,4-6,8-9,11H2.
What are the key properties of N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 142036010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).