3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen

C18H40N2O — CID 155740209

IUPAC3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
SMILESCC(C)CC1CCN(CCCOCCCNC(C)C)CC1.[H][H]
InChIInChI=1S/C18H38N2O.H2/c1-16(2)15-18-7-11-20(12-8-18)10-6-14-21-13-5-9-19-17(3)4;/h16-19H,5-15H2,1-4H3;1H
InChIKeyFDDJOLPSNRMHIW-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.79
Rot. Bonds11

About 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen

3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen (PubChem CID 155740209) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
PubChem CID155740209
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
SMILESCC(C)CC1CCN(CCCOCCCNC(C)C)CC1.[H][H]
InChIInChI=1S/C18H38N2O.H2/c1-16(2)15-18-7-11-20(12-8-18)10-6-14-21-13-5-9-19-17(3)4;/h16-19H,5-15H2,1-4H3;1H
InChIKeyFDDJOLPSNRMHIW-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen 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

1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 103410145
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
CID 176581495
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
CID 106837078
3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine
CID 134579953
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine
CID 155739800
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
The IUPAC name of 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen (CID 155740209) is 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
The canonical SMILES for 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen is CC(C)CC1CCN(CCCOCCCNC(C)C)CC1.[H][H].
What is the InChIKey of 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
The InChIKey is FDDJOLPSNRMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O.H2/c1-16(2)15-18-7-11-20(12-8-18)10-6-14-21-13-5-9-19-17(3)4;/h16-19H,5-15H2,1-4H3;1H.
What are the key properties of 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen has a molecular weight of 300.53 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 155740209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).