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

C14H24N2S — CID 43527381

IUPAC1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)C1CCCCC1
InChIInChI=1S/C14H24N2S/c1-16(11-13-8-5-9-17-13)14(10-15)12-6-3-2-4-7-12/h5,8-9,12,14H,2-4,6-7,10-11,15H2,1H3
InChIKeyXDRIINSKXDMGJW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds5

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

1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43527381) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID43527381
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)C1CCCCC1
InChIInChI=1S/C14H24N2S/c1-16(11-13-8-5-9-17-13)14(10-15)12-6-3-2-4-7-12/h5,8-9,12,14H,2-4,6-7,10-11,15H2,1H3
InChIKeyXDRIINSKXDMGJW-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651270
1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
CID 54946732
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 43527381) is 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(Cc1cccs1)C(CN)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is XDRIINSKXDMGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-16(11-13-8-5-9-17-13)14(10-15)12-6-3-2-4-7-12/h5,8-9,12,14H,2-4,6-7,10-11,15H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43527381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).