N,N-diethyl-4-methylcyclohexan-1-amine;ethane

C15H35N — CID 145372894

IUPACN,N-diethyl-4-methylcyclohexan-1-amine;ethane
SMILESCC.CC.CCN(CC)C1CCC(C)CC1
InChIInChI=1S/C11H23N.2C2H6/c1-4-12(5-2)11-8-6-10(3)7-9-11;2*1-2/h10-11H,4-9H2,1-3H3;2*1-2H3
InChIKeyNNYBKOODXHMZLZ-UHFFFAOYSA-N
MW229.45 g/mol
LogP4.96
Rot. Bonds3

About N,N-diethyl-4-methylcyclohexan-1-amine;ethane

N,N-diethyl-4-methylcyclohexan-1-amine;ethane (PubChem CID 145372894) has the molecular formula C15H35N and a molecular weight of 229.45 g/mol. Its IUPAC name is N,N-diethyl-4-methylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN,N-diethyl-4-methylcyclohexan-1-amine;ethane
PubChem CID145372894
Molecular FormulaC15H35N
Molecular Weight229.45 g/mol
Exact Mass229.28
IUPAC NameN,N-diethyl-4-methylcyclohexan-1-amine;ethane
SMILESCC.CC.CCN(CC)C1CCC(C)CC1
InChIInChI=1S/C11H23N.2C2H6/c1-4-12(5-2)11-8-6-10(3)7-9-11;2*1-2/h10-11H,4-9H2,1-3H3;2*1-2H3
InChIKeyNNYBKOODXHMZLZ-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethyl-4-methylcyclohexan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-dimethyl-N-(4-methylcyclohexyl)-4-piperidinamine
CID 2846435
N,N-Dimethylcyclohexanemethanamine
CID 123363
Cyclohexanemethylamine, N-cyclopropyl-N-methyl-
CID 202160
N-(Cyclohexylmethyl)-N-ethylethanamine
CID 11457913
N-(1-Cyclohexylethyl)-N-methylcyclopropanamine
CID 202161
N,alpha-Dimethyl-N-2-propyn-1-ylcyclohexanemethanamine
CID 202187
Cambridge id 5462877
CID 784458
1,2,4,6-Tetramethylpiperidine
CID 435108
trans-N,N,4-Trimethylcyclohexylamine
CID 3742989
N-(2-methylcyclohexyl)pyrrolidine
CID 12218077
N-(Cyclohexylmethyl)-N-(propan-2-yl)propan-2-amine
CID 12865551
Cambridge id 5410907
CID 781999

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylcyclohexan-1-amine;ethane?
The IUPAC name of N,N-diethyl-4-methylcyclohexan-1-amine;ethane (CID 145372894) is N,N-diethyl-4-methylcyclohexan-1-amine;ethane.
What is the SMILES notation for N,N-diethyl-4-methylcyclohexan-1-amine;ethane?
The canonical SMILES for N,N-diethyl-4-methylcyclohexan-1-amine;ethane is CC.CC.CCN(CC)C1CCC(C)CC1.
What is the InChIKey of N,N-diethyl-4-methylcyclohexan-1-amine;ethane?
The InChIKey is NNYBKOODXHMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.2C2H6/c1-4-12(5-2)11-8-6-10(3)7-9-11;2*1-2/h10-11H,4-9H2,1-3H3;2*1-2H3.
What are the key properties of N,N-diethyl-4-methylcyclohexan-1-amine;ethane?
N,N-diethyl-4-methylcyclohexan-1-amine;ethane has a molecular weight of 229.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylcyclohexan-1-amine;ethane is sourced from PubChem (CID 145372894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).