N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine

C14H24N2S — CID 61444758

IUPACN-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)c1ccsc1
InChIInChI=1S/C14H24N2S/c1-16(10-12-5-3-2-4-6-12)14(9-15)13-7-8-17-11-13/h7-8,11-12,14H,2-6,9-10,15H2,1H3
InChIKeyVEYQOYWAKMETRY-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.26
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine

N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 61444758) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID61444758
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)c1ccsc1
InChIInChI=1S/C14H24N2S/c1-16(10-12-5-3-2-4-6-12)14(9-15)13-7-8-17-11-13/h7-8,11-12,14H,2-6,9-10,15H2,1H3
InChIKeyVEYQOYWAKMETRY-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 63233410
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 63688840
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
1-(5-chlorothiophen-2-yl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 54983977
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217
N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 62860754
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
N-(cyclobutylmethyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62861633
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine (CID 61444758) is N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine is CN(CC1CCCCC1)C(CN)c1ccsc1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is VEYQOYWAKMETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-16(10-12-5-3-2-4-6-12)14(9-15)13-7-8-17-11-13/h7-8,11-12,14H,2-6,9-10,15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 61444758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).