N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine

C24H43N — CID 140571030

IUPACN-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
SMILESC=CC1CCC(N(C2CCC(C)CC2C)C2CCC(C)CC2C)CC1
InChIInChI=1S/C24H43N/c1-6-21-9-11-22(12-10-21)25(23-13-7-17(2)15-19(23)4)24-14-8-18(3)16-20(24)5/h6,17-24H,1,7-16H2,2-5H3
InChIKeyJAFNLKIIEZNTMD-UHFFFAOYSA-N
MW345.62 g/mol
LogP6.68
Rot. Bonds4

About N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine

N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 140571030) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID140571030
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC NameN-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
SMILESC=CC1CCC(N(C2CCC(C)CC2C)C2CCC(C)CC2C)CC1
InChIInChI=1S/C24H43N/c1-6-21-9-11-22(12-10-21)25(23-13-7-17(2)15-19(23)4)24-14-8-18(3)16-20(24)5/h6,17-24H,1,7-16H2,2-5H3
InChIKeyJAFNLKIIEZNTMD-UHFFFAOYSA-N
XLogP6.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
(1S,2R,4R)-N,N,2,4-tetramethylcyclohexan-1-amine
CID 174078567
bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
CID 123322399
4-ethenyl-N-ethyl-N-methylcyclohexan-1-amine
CID 129208749
1,2,4,7-tetramethylcyclononane
CID 123661715
1,3-dimethylcyclopentane;ethene;prop-1-ene
CID 143207581
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine
CID 66181449
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503123

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine (CID 140571030) is N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine is C=CC1CCC(N(C2CCC(C)CC2C)C2CCC(C)CC2C)CC1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is JAFNLKIIEZNTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-6-21-9-11-22(12-10-21)25(23-13-7-17(2)15-19(23)4)24-14-8-18(3)16-20(24)5/h6,17-24H,1,7-16H2,2-5H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 345.62 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 140571030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).