5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine

C13H32N4O2 — CID 178166469

IUPAC5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine
SMILESCC(C)(OCCC(N)CCN)OCCC(N)CCN
InChIInChI=1S/C13H32N4O2/c1-13(2,18-9-5-11(16)3-7-14)19-10-6-12(17)4-8-15/h11-12H,3-10,14-17H2,1-2H3
InChIKeyYREYGTZDYXMJML-UHFFFAOYSA-N
MW276.43 g/mol
LogP-0.11
Rot. Bonds12

About 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine

5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine (PubChem CID 178166469) has the molecular formula C13H32N4O2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine.

Molecular Properties

Compound Name5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine
PubChem CID178166469
Molecular FormulaC13H32N4O2
Molecular Weight276.43 g/mol
Exact Mass276.25
IUPAC Name5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine
SMILESCC(C)(OCCC(N)CCN)OCCC(N)CCN
InChIInChI=1S/C13H32N4O2/c1-13(2,18-9-5-11(16)3-7-14)19-10-6-12(17)4-8-15/h11-12H,3-10,14-17H2,1-2H3
InChIKeyYREYGTZDYXMJML-UHFFFAOYSA-N
XLogP-0.11
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-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

Related Compounds

octane-1,3,6,8-tetramine
CID 18680656
5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
CID 112592208
ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
5-dimethoxysilylpentane-1,3-diamine
CID 123921736
3-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590457
3,5,5-trimethyl-1-[2-(3,5,5-trimethylhexoxy)propan-2-yloxy]hexane
CID 141134456
(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine
CID 87682388
5,8,10-triaminodecan-2-one
CID 15920060
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
6-dimethoxysilylhexane-1,3-diamine
CID 123164689
O-[2-[2-[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]ethyl]hydroxylamine
CID 129065318
5-[methoxy(dimethyl)silyl]pentane-1,3-diamine
CID 87772527

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine?
The IUPAC name of 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine (CID 178166469) is 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine.
What is the SMILES notation for 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine?
The canonical SMILES for 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine is CC(C)(OCCC(N)CCN)OCCC(N)CCN.
What is the InChIKey of 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine?
The InChIKey is YREYGTZDYXMJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4O2/c1-13(2,18-9-5-11(16)3-7-14)19-10-6-12(17)4-8-15/h11-12H,3-10,14-17H2,1-2H3.
What are the key properties of 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine?
5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine has a molecular weight of 276.43 g/mol, XLogP of -0.11, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine is sourced from PubChem (CID 178166469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).