N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C15H26N2S — CID 62556875

IUPACN'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(CC1CC1)C(C)C)c1cccs1
InChIInChI=1S/C15H26N2S/c1-12(2)17(11-14-6-7-14)9-8-16-13(3)15-5-4-10-18-15/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyDPEVEMGBFQNIGS-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.52
Rot. Bonds8

About N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62556875) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62556875
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(CC1CC1)C(C)C)c1cccs1
InChIInChI=1S/C15H26N2S/c1-12(2)17(11-14-6-7-14)9-8-16-13(3)15-5-4-10-18-15/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyDPEVEMGBFQNIGS-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-ethylcyclohexyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556346
N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63705847
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62556874
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 54999752
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62556875) is N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(NCCN(CC1CC1)C(C)C)c1cccs1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is DPEVEMGBFQNIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)17(11-14-6-7-14)9-8-16-13(3)15-5-4-10-18-15/h4-5,10,12-14,16H,6-9,11H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).