1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol

C24H49NO — CID 143702908

IUPAC1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol
SMILESCC1CCC(C)C1.CCC(CCCCC(C)O)CNC1CCC(C)CC1
InChIInChI=1S/C17H35NO.C7H14/c1-4-16(8-6-5-7-15(3)19)13-18-17-11-9-14(2)10-12-17;1-6-3-4-7(2)5-6/h14-19H,4-13H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyGKHOOOGNFHLCAG-UHFFFAOYSA-N
MW367.66 g/mol
LogP6.56
Rot. Bonds9

About 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol

1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol (PubChem CID 143702908) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol.

Molecular Properties

Compound Name1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol
PubChem CID143702908
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol
SMILESCC1CCC(C)C1.CCC(CCCCC(C)O)CNC1CCC(C)CC1
InChIInChI=1S/C17H35NO.C7H14/c1-4-16(8-6-5-7-15(3)19)13-18-17-11-9-14(2)10-12-17;1-6-3-4-7(2)5-6/h14-19H,4-13H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyGKHOOOGNFHLCAG-UHFFFAOYSA-N
XLogP6.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol?
The IUPAC name of 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol (CID 143702908) is 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol.
What is the SMILES notation for 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol?
The canonical SMILES for 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol is CC1CCC(C)C1.CCC(CCCCC(C)O)CNC1CCC(C)CC1.
What is the InChIKey of 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol?
The InChIKey is GKHOOOGNFHLCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.C7H14/c1-4-16(8-6-5-7-15(3)19)13-18-17-11-9-14(2)10-12-17;1-6-3-4-7(2)5-6/h14-19H,4-13H2,1-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol?
1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol has a molecular weight of 367.66 g/mol, XLogP of 6.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclopentane;7-[[(4-methylcyclohexyl)amino]methyl]nonan-2-ol is sourced from PubChem (CID 143702908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).