N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide

C14H28N2 — CID 63176962

IUPACN-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-11(14(2,3)4)16(5)13(15)12-9-7-6-8-10-12/h11-12,15H,6-10H2,1-5H3/b15-13-
InChIKeyNNPZFEDBCZKLEH-SQFISAMPSA-N
MW224.39 g/mol
LogP3.91
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide

N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide (PubChem CID 63176962) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide
PubChem CID63176962
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-11(14(2,3)4)16(5)13(15)12-9-7-6-8-10-12/h11-12,15H,6-10H2,1-5H3/b15-13-
InChIKeyNNPZFEDBCZKLEH-SQFISAMPSA-N
XLogP3.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.91
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-(1-cyclopropylethyl)-N-methylcyclohexanecarboximidamide
CID 63176218
N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide
CID 63177816
N-methyl-N-(2-methylbutan-2-yl)cyclopentanecarboximidamide
CID 63962537
N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
CID 63175585
N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
CID 63181963
N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
CID 63177358
N-cyclopropyl-N-(2-methylpropyl)cyclohexanecarboximidamide
CID 63176684
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboximidamide
CID 63725872
N-butan-2-yl-N-ethylcyclopentanecarboximidamide
CID 63176258
N-cyclopentyl-N-methylcyclopropanecarboximidamide
CID 63175518
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564688

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide (CID 63176962) is N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide?
The InChIKey is NNPZFEDBCZKLEH-SQFISAMPSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(14(2,3)4)16(5)13(15)12-9-7-6-8-10-12/h11-12,15H,6-10H2,1-5H3/b15-13-.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide?
N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide has a molecular weight of 224.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide is sourced from PubChem (CID 63176962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).