N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine

C16H32N2O — CID 28672998

IUPACN-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C16H32N2O/c1-2-4-15-5-7-16(8-6-15)17-9-3-10-18-11-13-19-14-12-18/h15-17H,2-14H2,1H3
InChIKeyWJRPQYRIXUHDNF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine

N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine (PubChem CID 28672998) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
PubChem CID28672998
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C16H32N2O/c1-2-4-15-5-7-16(8-6-15)17-9-3-10-18-11-13-19-14-12-18/h15-17H,2-14H2,1H3
InChIKeyWJRPQYRIXUHDNF-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
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 N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine (CID 28672998) is N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
The InChIKey is WJRPQYRIXUHDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-4-15-5-7-16(8-6-15)17-9-3-10-18-11-13-19-14-12-18/h15-17H,2-14H2,1H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 28672998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).