4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine

C16H28N2S — CID 114763470

IUPAC4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCc2cccs2)CC1
InChIInChI=1S/C16H28N2S/c1-3-11-17-14-6-8-15(9-7-14)18(2)12-10-16-5-4-13-19-16/h4-5,13-15,17H,3,6-12H2,1-2H3
InChIKeyBLAIWRCKGMYEAG-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.53
Rot. Bonds7

About 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine

4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine (PubChem CID 114763470) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
PubChem CID114763470
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCc2cccs2)CC1
InChIInChI=1S/C16H28N2S/c1-3-11-17-14-6-8-15(9-7-14)18(2)12-10-16-5-4-13-19-16/h4-5,13-15,17H,3,6-12H2,1-2H3
InChIKeyBLAIWRCKGMYEAG-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
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
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine (CID 114763470) is 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine is CCCNC1CCC(N(C)CCc2cccs2)CC1.
What is the InChIKey of 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine?
The InChIKey is BLAIWRCKGMYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-11-17-14-6-8-15(9-7-14)18(2)12-10-16-5-4-13-19-16/h4-5,13-15,17H,3,6-12H2,1-2H3.
What are the key properties of 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine?
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114763470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).