1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C16H26N2S — CID 61433657

IUPAC1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESNCC(C1CCCCC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H26N2S/c17-10-16(14-4-2-1-3-5-14)18(15-6-7-15)11-13-8-9-19-12-13/h8-9,12,14-16H,1-7,10-11,17H2
InChIKeyHAHDQRVBAXDXHE-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.62
Rot. Bonds6

About 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 61433657) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID61433657
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESNCC(C1CCCCC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H26N2S/c17-10-16(14-4-2-1-3-5-14)18(15-6-7-15)11-13-8-9-19-12-13/h8-9,12,14-16H,1-7,10-11,17H2
InChIKeyHAHDQRVBAXDXHE-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560
4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
N-cyclopropyl-1-(5-methylfuran-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433709
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 61433657) is 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is NCC(C1CCCCC1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is HAHDQRVBAXDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c17-10-16(14-4-2-1-3-5-14)18(15-6-7-15)11-13-8-9-19-12-13/h8-9,12,14-16H,1-7,10-11,17H2.
What are the key properties of 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 278.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61433657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).