3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

C15H30N2O — CID 64732584

IUPAC3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCCCN2CCOCC2)CC1C
InChIInChI=1S/C15H30N2O/c1-13-4-5-15(12-14(13)2)16-6-3-7-17-8-10-18-11-9-17/h13-16H,3-12H2,1-2H3
InChIKeyVHADAPPFMYCQDV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (PubChem CID 64732584) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
PubChem CID64732584
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCCCN2CCOCC2)CC1C
InChIInChI=1S/C15H30N2O/c1-13-4-5-15(12-14(13)2)16-6-3-7-17-8-10-18-11-9-17/h13-16H,3-12H2,1-2H3
InChIKeyVHADAPPFMYCQDV-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
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 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (CID 64732584) is 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is CC1CCC(NCCCN2CCOCC2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The InChIKey is VHADAPPFMYCQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-4-5-15(12-14(13)2)16-6-3-7-17-8-10-18-11-9-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64732584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).