1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine

C19H41N3O3 — CID 169214943

IUPAC1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine
SMILESCCC(C)CCNCCOCCOCCOCCN1CCC(N)CC1
InChIInChI=1S/C19H41N3O3/c1-3-18(2)4-7-21-8-12-23-14-16-25-17-15-24-13-11-22-9-5-19(20)6-10-22/h18-19,21H,3-17,20H2,1-2H3
InChIKeyLAEQTBWTOCWLGW-UHFFFAOYSA-N
MW359.56 g/mol
LogP1.49
Rot. Bonds16

About 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine

1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine (PubChem CID 169214943) has the molecular formula C19H41N3O3 and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine
PubChem CID169214943
Molecular FormulaC19H41N3O3
Molecular Weight359.56 g/mol
Exact Mass359.31
IUPAC Name1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine
SMILESCCC(C)CCNCCOCCOCCOCCN1CCC(N)CC1
InChIInChI=1S/C19H41N3O3/c1-3-18(2)4-7-21-8-12-23-14-16-25-17-15-24-13-11-22-9-5-19(20)6-10-22/h18-19,21H,3-17,20H2,1-2H3
InChIKeyLAEQTBWTOCWLGW-UHFFFAOYSA-N
XLogP1.49
TPSA68.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-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

1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
CID 169213807
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
CID 166169205
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
CID 163451495
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine (CID 169214943) is 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine is CCC(C)CCNCCOCCOCCOCCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine?
The InChIKey is LAEQTBWTOCWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O3/c1-3-18(2)4-7-21-8-12-23-14-16-25-17-15-24-13-11-22-9-5-19(20)6-10-22/h18-19,21H,3-17,20H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine?
1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine has a molecular weight of 359.56 g/mol, XLogP of 1.49, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 169214943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).