3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine

C21H42N2 — CID 173086070

IUPAC3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CCC(C2CCC(CCN(C)C)CC2)CC1
InChIInChI=1S/C21H42N2/c1-22(2)16-5-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)15-17-23(3)4/h18-21H,5-17H2,1-4H3
InChIKeyTZMVCUCANBHECT-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.89
Rot. Bonds8

About 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine

3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine (PubChem CID 173086070) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine
PubChem CID173086070
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CCC(C2CCC(CCN(C)C)CC2)CC1
InChIInChI=1S/C21H42N2/c1-22(2)16-5-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)15-17-23(3)4/h18-21H,5-17H2,1-4H3
InChIKeyTZMVCUCANBHECT-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine 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,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
CID 142282726
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 176728249
3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine
CID 24843980
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde
CID 87381497
N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
CID 54609597
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-(2-cyclopropylethyl)-1,2-dimethylhydrazine
CID 135280697
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
3-[2-(dimethylamino)ethyl]cyclopentan-1-ol
CID 130149238
N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine (CID 173086070) is 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1CCC(C2CCC(CCN(C)C)CC2)CC1.
What is the InChIKey of 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine?
The InChIKey is TZMVCUCANBHECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-22(2)16-5-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)15-17-23(3)4/h18-21H,5-17H2,1-4H3.
What are the key properties of 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine?
3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 173086070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).