N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine

C23H45NO — CID 20516715

IUPACN-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine
SMILESCCCCCCCNC1CCC(COC2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H45NO/c1-3-5-6-7-8-18-24-22-14-10-21(11-15-22)19-25-23-16-12-20(9-4-2)13-17-23/h20-24H,3-19H2,1-2H3
InChIKeyRUTUMIGPAXJAEG-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.48
Rot. Bonds12

About N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine

N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine (PubChem CID 20516715) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine
PubChem CID20516715
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC NameN-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine
SMILESCCCCCCCNC1CCC(COC2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H45NO/c1-3-5-6-7-8-18-24-22-14-10-21(11-15-22)19-25-23-16-12-20(9-4-2)13-17-23/h20-24H,3-19H2,1-2H3
InChIKeyRUTUMIGPAXJAEG-UHFFFAOYSA-N
XLogP6.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.48
H-Bond Donors ≤ 51
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 N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine (CID 20516715) is N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine is CCCCCCCNC1CCC(COC2CCC(CCC)CC2)CC1.
What is the InChIKey of N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The InChIKey is RUTUMIGPAXJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-5-6-7-8-18-24-22-14-10-21(11-15-22)19-25-23-16-12-20(9-4-2)13-17-23/h20-24H,3-19H2,1-2H3.
What are the key properties of N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine?
N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine has a molecular weight of 351.62 g/mol, XLogP of 6.48, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 20516715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).