N'-(1,1-dihexoxyethyl)pentane-1,5-diamine

C19H42N2O2 — CID 134503579

IUPACN'-(1,1-dihexoxyethyl)pentane-1,5-diamine
SMILESCCCCCCOC(C)(NCCCCCN)OCCCCCC
InChIInChI=1S/C19H42N2O2/c1-4-6-8-13-17-22-19(3,21-16-12-10-11-15-20)23-18-14-9-7-5-2/h21H,4-18,20H2,1-3H3
InChIKeyPBLBJESVFFJKQC-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.57
Rot. Bonds18

About N'-(1,1-dihexoxyethyl)pentane-1,5-diamine

N'-(1,1-dihexoxyethyl)pentane-1,5-diamine (PubChem CID 134503579) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N'-(1,1-dihexoxyethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(1,1-dihexoxyethyl)pentane-1,5-diamine
PubChem CID134503579
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC NameN'-(1,1-dihexoxyethyl)pentane-1,5-diamine
SMILESCCCCCCOC(C)(NCCCCCN)OCCCCCC
InChIInChI=1S/C19H42N2O2/c1-4-6-8-13-17-22-19(3,21-16-12-10-11-15-20)23-18-14-9-7-5-2/h21H,4-18,20H2,1-3H3
InChIKeyPBLBJESVFFJKQC-UHFFFAOYSA-N
XLogP4.57
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1,1-dihexoxyethyl)pentane-1,5-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

hexadecan-1-amine;hydroiodide
CID 173125534
decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
4-nonoxybutan-1-amine
CID 139664551
1,1-didodecoxy-2,2-dimethylhexane-1,6-diamine;hydrobromide
CID 174106439
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dihexoxyethyl)pentane-1,5-diamine?
The IUPAC name of N'-(1,1-dihexoxyethyl)pentane-1,5-diamine (CID 134503579) is N'-(1,1-dihexoxyethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(1,1-dihexoxyethyl)pentane-1,5-diamine?
The canonical SMILES for N'-(1,1-dihexoxyethyl)pentane-1,5-diamine is CCCCCCOC(C)(NCCCCCN)OCCCCCC.
What is the InChIKey of N'-(1,1-dihexoxyethyl)pentane-1,5-diamine?
The InChIKey is PBLBJESVFFJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O2/c1-4-6-8-13-17-22-19(3,21-16-12-10-11-15-20)23-18-14-9-7-5-2/h21H,4-18,20H2,1-3H3.
What are the key properties of N'-(1,1-dihexoxyethyl)pentane-1,5-diamine?
N'-(1,1-dihexoxyethyl)pentane-1,5-diamine has a molecular weight of 330.56 g/mol, XLogP of 4.57, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dihexoxyethyl)pentane-1,5-diamine is sourced from PubChem (CID 134503579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).