1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine

C22H49N5 — CID 141325273

IUPAC1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine
SMILESCCCCC(N)(CCNCCNCCCN)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C22H49N5/c1-7-8-10-22(24,11-14-26-16-15-25-13-9-12-23)19-17-20(2,3)27(6)21(4,5)18-19/h19,25-26H,7-18,23-24H2,1-6H3
InChIKeyDLPZISVULVFZRN-UHFFFAOYSA-N
MW383.67 g/mol
LogP2.69
Rot. Bonds13

About 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine

1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine (PubChem CID 141325273) has the molecular formula C22H49N5 and a molecular weight of 383.67 g/mol. Its IUPAC name is 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine
PubChem CID141325273
Molecular FormulaC22H49N5
Molecular Weight383.67 g/mol
Exact Mass383.40
IUPAC Name1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine
SMILESCCCCC(N)(CCNCCNCCCN)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C22H49N5/c1-7-8-10-22(24,11-14-26-16-15-25-13-9-12-23)19-17-20(2,3)27(6)21(4,5)18-19/h19,25-26H,7-18,23-24H2,1-6H3
InChIKeyDLPZISVULVFZRN-UHFFFAOYSA-N
XLogP2.69
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine?
The IUPAC name of 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine (CID 141325273) is 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine?
The canonical SMILES for 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine is CCCCC(N)(CCNCCNCCCN)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine?
The InChIKey is DLPZISVULVFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N5/c1-7-8-10-22(24,11-14-26-16-15-25-13-9-12-23)19-17-20(2,3)27(6)21(4,5)18-19/h19,25-26H,7-18,23-24H2,1-6H3.
What are the key properties of 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine?
1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine has a molecular weight of 383.67 g/mol, XLogP of 2.69, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-aminopropylamino)ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptane-1,3-diamine is sourced from PubChem (CID 141325273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).