N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine

C21H37N — CID 163800957

IUPACN-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
SMILESC=CC1CCC(C2CCC(NC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C21H37N/c1-3-17-6-8-18(9-7-17)19-10-14-21(15-11-19)22-20-12-4-16(2)5-13-20/h3,16-22H,1,4-15H2,2H3
InChIKeyNEXKBQRPLBLRER-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.71
Rot. Bonds4

About N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine

N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine (PubChem CID 163800957) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
PubChem CID163800957
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
SMILESC=CC1CCC(C2CCC(NC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C21H37N/c1-3-17-6-8-18(9-7-17)19-10-14-21(15-11-19)22-20-12-4-16(2)5-13-20/h3,16-22H,1,4-15H2,2H3
InChIKeyNEXKBQRPLBLRER-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
CID 118983920
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine
CID 126539402
bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
CID 123322399
N-ethenyl-4-methylcyclohexan-1-amine
CID 58476110
N-cyclopentyl-4-methylcyclohexan-1-amine;hydrobromide
CID 75531499
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
2-ethenyl-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139847576
4-(4-ethenylcyclohexyl)cyclohexan-1-ol
CID 129130656
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine (CID 163800957) is N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine is C=CC1CCC(C2CCC(NC3CCC(C)CC3)CC2)CC1.
What is the InChIKey of N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine?
The InChIKey is NEXKBQRPLBLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-3-17-6-8-18(9-7-17)19-10-14-21(15-11-19)22-20-12-4-16(2)5-13-20/h3,16-22H,1,4-15H2,2H3.
What are the key properties of N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine?
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine has a molecular weight of 303.53 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 163800957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).