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

C16H26N2S — CID 62570532

IUPAC1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCC(CNC1CCCC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H26N2S/c1-13(10-17-15-4-2-3-5-15)18(16-6-7-16)11-14-8-9-19-12-14/h8-9,12-13,15-17H,2-7,10-11H2,1H3
InChIKeySQHYQTKMHJKSIW-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.63
Rot. Bonds7

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

1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 62570532) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID62570532
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCC(CNC1CCCC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H26N2S/c1-13(10-17-15-4-2-3-5-15)18(16-6-7-16)11-14-8-9-19-12-14/h8-9,12-13,15-17H,2-7,10-11H2,1H3
InChIKeySQHYQTKMHJKSIW-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808
2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570350
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
CID 114762977
N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
CID 81015095
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 62570532) is 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is CC(CNC1CCCC1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is SQHYQTKMHJKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13(10-17-15-4-2-3-5-15)18(16-6-7-16)11-14-8-9-19-12-14/h8-9,12-13,15-17H,2-7,10-11H2,1H3.
What are the key properties of 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 278.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62570532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).