N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide

C13H26N2 — CID 63177816

IUPACN-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC(C)(C)C
InChIInChI=1S/C13H26N2/c1-13(2,3)10-15(4)12(14)11-8-6-5-7-9-11/h11,14H,5-10H2,1-4H3/b14-12-
InChIKeyAIMBEWXWVIYERK-OWBHPGMISA-N
MW210.36 g/mol
LogP3.52
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide

N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide (PubChem CID 63177816) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide
PubChem CID63177816
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC(C)(C)C
InChIInChI=1S/C13H26N2/c1-13(2,3)10-15(4)12(14)11-8-6-5-7-9-11/h11,14H,5-10H2,1-4H3/b14-12-
InChIKeyAIMBEWXWVIYERK-OWBHPGMISA-N
XLogP3.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboximidamide
CID 63725872
N-methyl-N-(2-methylbutan-2-yl)cyclopentanecarboximidamide
CID 63962537
N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
CID 63175585
N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide
CID 63176962
N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
CID 63177358
N-(2-methoxyethyl)-N-methylcyclopentanecarboximidamide
CID 63177944
N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
CID 63707933
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
N-(cyclopropylmethyl)-N-methylcyclopropanecarboximidamide
CID 63177015
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177867
N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 63175381
N-(1-cyclopropylethyl)-N-methylcyclohexanecarboximidamide
CID 63176218

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide (CID 63177816) is N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide?
The InChIKey is AIMBEWXWVIYERK-OWBHPGMISA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)10-15(4)12(14)11-8-6-5-7-9-11/h11,14H,5-10H2,1-4H3/b14-12-.
What are the key properties of N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide?
N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide has a molecular weight of 210.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide is sourced from PubChem (CID 63177816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).