5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine

C18H38N2O — CID 70022562

IUPAC5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine
SMILESCCCCCN(C)CCCCCOC1CCC(CN)CC1
InChIInChI=1S/C18H38N2O/c1-3-4-6-13-20(2)14-7-5-8-15-21-18-11-9-17(16-19)10-12-18/h17-18H,3-16,19H2,1-2H3
InChIKeyMCPRUIYHXWSJNC-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.81
Rot. Bonds12

About 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine

5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine (PubChem CID 70022562) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine
PubChem CID70022562
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine
SMILESCCCCCN(C)CCCCCOC1CCC(CN)CC1
InChIInChI=1S/C18H38N2O/c1-3-4-6-13-20(2)14-7-5-8-15-21-18-11-9-17(16-19)10-12-18/h17-18H,3-16,19H2,1-2H3
InChIKeyMCPRUIYHXWSJNC-UHFFFAOYSA-N
XLogP3.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine?
The IUPAC name of 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine (CID 70022562) is 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine.
What is the SMILES notation for 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine?
The canonical SMILES for 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine is CCCCCN(C)CCCCCOC1CCC(CN)CC1.
What is the InChIKey of 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine?
The InChIKey is MCPRUIYHXWSJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-3-4-6-13-20(2)14-7-5-8-15-21-18-11-9-17(16-19)10-12-18/h17-18H,3-16,19H2,1-2H3.
What are the key properties of 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine?
5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.81, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine is sourced from PubChem (CID 70022562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).