N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C17H30N2S — CID 62554475

IUPACN-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(Cc1cccs1)C(C)C
InChIInChI=1S/C17H30N2S/c1-14(2)19(13-16-8-6-12-20-16)11-10-18-17-9-5-4-7-15(17)3/h6,8,12,14-15,17-18H,4-5,7,9-11,13H2,1-3H3
InChIKeyCAWLGIDJSMAORD-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.13
Rot. Bonds7

About N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62554475) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62554475
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(Cc1cccs1)C(C)C
InChIInChI=1S/C17H30N2S/c1-14(2)19(13-16-8-6-12-20-16)11-10-18-17-9-5-4-7-15(17)3/h6,8,12,14-15,17-18H,4-5,7,9-11,13H2,1-3H3
InChIKeyCAWLGIDJSMAORD-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557859
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494171
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 115689591
N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62554475) is N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC1CCCCC1NCCN(Cc1cccs1)C(C)C.
What is the InChIKey of N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CAWLGIDJSMAORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-14(2)19(13-16-8-6-12-20-16)11-10-18-17-9-5-4-7-15(17)3/h6,8,12,14-15,17-18H,4-5,7,9-11,13H2,1-3H3.
What are the key properties of N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 294.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).