N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine

C30H53N — CID 142281362

IUPACN-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CC=C(C3CCC(C4CCC(NC)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H53N/c1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-28(18-16-27)29-19-21-30(31-2)22-20-29/h13,23-25,27-31H,3-12,14-22H2,1-2H3
InChIKeyMRXISXDSWOBUDR-UHFFFAOYSA-N
MW427.76 g/mol
LogP8.68
Rot. Bonds8

About N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine

N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine (PubChem CID 142281362) has the molecular formula C30H53N and a molecular weight of 427.76 g/mol. Its IUPAC name is N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine
PubChem CID142281362
Molecular FormulaC30H53N
Molecular Weight427.76 g/mol
Exact Mass427.42
IUPAC NameN-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CC=C(C3CCC(C4CCC(NC)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H53N/c1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-28(18-16-27)29-19-21-30(31-2)22-20-29/h13,23-25,27-31H,3-12,14-22H2,1-2H3
InChIKeyMRXISXDSWOBUDR-UHFFFAOYSA-N
XLogP8.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Sq-109
CID 5274428
N-[(2z)-3,7-Dimethylocta-2,6-Dien-1-Yl]-N'-[(1r,3s,5r,7r)-Tricyclo[3.3.1.1~3,7~]dec-2-Yl]ethane-1,2-Diamine
CID 22315759
N'-(2-adamantyl)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine
CID 46203794
N-(3,7-dimethyloct-6-enyl)adamantan-2-amine
CID 155522234
2-adamantyl-[2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]azaniumyl]ethyl]azanium
CID 72200899
N'-(2-adamantyl)-N-[(3E)-4,8-dimethylnona-3,7-dienyl]ethane-1,2-diamine
CID 172442560
SQ-109; SQ 109; NSC 722041; NSC-722041; NSC722041
CID 6320423
N'-(2-adamantyl)-N-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine
CID 49777739
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
N-[(E,2S)-3-[(2R)-2-ethyl-5-fluorocyclohexyl]pent-3-en-2-yl]-4-methylcyclohexan-1-amine
CID 68341249
4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 131968619
N-methyl-4-[4-[4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclohexyl]cyclohexan-1-amine
CID 144809478

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine (CID 142281362) is N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine is CCCCCC1CCC(C2CC=C(C3CCC(C4CCC(NC)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine?
The InChIKey is MRXISXDSWOBUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53N/c1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-28(18-16-27)29-19-21-30(31-2)22-20-29/h13,23-25,27-31H,3-12,14-22H2,1-2H3.
What are the key properties of N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine?
N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine has a molecular weight of 427.76 g/mol, XLogP of 8.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 142281362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).