N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide

C14H22N2S — CID 79486974

IUPACN-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CCc1cccs1
InChIInChI=1S/C14H22N2S/c1-16(10-9-13-8-5-11-17-13)14(15)12-6-3-2-4-7-12/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3/b15-14-
InChIKeyRCKLGTDJKNXOOT-PFONDFGASA-N
MW250.41 g/mol
LogP3.78
Rot. Bonds4

About N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide

N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide (PubChem CID 79486974) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide
PubChem CID79486974
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CCc1cccs1
InChIInChI=1S/C14H22N2S/c1-16(10-9-13-8-5-11-17-13)14(15)12-6-3-2-4-7-12/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3/b15-14-
InChIKeyRCKLGTDJKNXOOT-PFONDFGASA-N
XLogP3.78
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 63175381
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
N-methyl-N-(2-pyridin-2-ylethyl)cyclopropanecarboximidamide
CID 63175508
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide
CID 63177482
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide (CID 79486974) is N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)CCc1cccs1.
What is the InChIKey of N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide?
The InChIKey is RCKLGTDJKNXOOT-PFONDFGASA-N. The full InChI is InChI=1S/C14H22N2S/c1-16(10-9-13-8-5-11-17-13)14(15)12-6-3-2-4-7-12/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3/b15-14-.
What are the key properties of N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide?
N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide has a molecular weight of 250.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 79486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).