3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine

C15H30N2O — CID 114098876

IUPAC3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCC1(CNCCCOCC2CC2)CCCNC1
InChIInChI=1S/C15H30N2O/c1-2-15(7-3-8-16-12-15)13-17-9-4-10-18-11-14-5-6-14/h14,16-17H,2-13H2,1H3
InChIKeyCCZKKJCNDSZEIM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds9

About 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 114098876) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID114098876
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCC1(CNCCCOCC2CC2)CCCNC1
InChIInChI=1S/C15H30N2O/c1-2-15(7-3-8-16-12-15)13-17-9-4-10-18-11-14-5-6-14/h14,16-17H,2-13H2,1H3
InChIKeyCCZKKJCNDSZEIM-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Cyclopropylmethyl)-4-(methoxymethyl)piperidine
CID 68321463
4-Methyl-4-(3-propoxypropyl)piperidine
CID 89076604
3-(Cyclopropylmethoxymethyl)-3-methylpiperidine
CID 90156731
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine
CID 108122472
3-Tert-butyl-4-methoxypiperidine
CID 117236477
4-[(2,2-Dimethylcyclopropyl)methoxy]piperidine
CID 129277855
4-[(1-Ethylcyclopropyl)methoxy]piperidine
CID 129278197
4-[2-(1-Methylcyclopropyl)ethoxy]piperidine
CID 129278223
2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139968816
2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine
CID 139968876
2-cyclopropyl-N-ethyl-2-(methoxymethyl)butan-1-amine
CID 139968942
4-(Cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen
CID 143945266

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine (CID 114098876) is 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine is CCC1(CNCCCOCC2CC2)CCCNC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is CCZKKJCNDSZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-15(7-3-8-16-12-15)13-17-9-4-10-18-11-14-5-6-14/h14,16-17H,2-13H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114098876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).