2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine

C17H37N3O — CID 176596314

IUPAC2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCCOCCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C17H37N3O/c1-15(2)18-8-11-21-12-10-20-9-6-7-16(14-20)13-19-17(3,4)5/h15-16,18-19H,6-14H2,1-5H3
InChIKeyNOWHYZKZUDFGHD-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.10
Rot. Bonds9

About 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 176596314) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID176596314
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCCOCCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C17H37N3O/c1-15(2)18-8-11-21-12-10-20-9-6-7-16(14-20)13-19-17(3,4)5/h15-16,18-19H,6-14H2,1-5H3
InChIKeyNOWHYZKZUDFGHD-UHFFFAOYSA-N
XLogP2.10
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-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

N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-N-methylpiperidin-4-amine
CID 56700791
1-(3-Ethoxypropyl)-3-methylpiperidin-4-amine
CID 54593711
1-[1-(2-Methoxyethyl)piperidin-3-YL]-N-methylmethanamine
CID 43811472
2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 86779410
2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
CID 138657179
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55259527
N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55260305
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580797
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 62591661
3-methyl-N-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63827880
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine (CID 176596314) is 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCCOCCN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is NOWHYZKZUDFGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-15(2)18-8-11-21-12-10-20-9-6-7-16(14-20)13-19-17(3,4)5/h15-16,18-19H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 299.50 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 176596314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).