1-N,4-N-diethylnonane-1,4-diamine

C13H30N2 — CID 126574797

IUPAC1-N,4-N-diethylnonane-1,4-diamine
SMILESCCCCCC(CCCNCC)NCC
InChIInChI=1S/C13H30N2/c1-4-7-8-10-13(15-6-3)11-9-12-14-5-2/h13-15H,4-12H2,1-3H3
InChIKeyDAESFPQRBIIPPU-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.93
Rot. Bonds11

About 1-N,4-N-diethylnonane-1,4-diamine

1-N,4-N-diethylnonane-1,4-diamine (PubChem CID 126574797) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N,4-N-diethylnonane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethylnonane-1,4-diamine
PubChem CID126574797
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N,4-N-diethylnonane-1,4-diamine
SMILESCCCCCC(CCCNCC)NCC
InChIInChI=1S/C13H30N2/c1-4-7-8-10-13(15-6-3)11-9-12-14-5-2/h13-15H,4-12H2,1-3H3
InChIKeyDAESFPQRBIIPPU-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,4-N-diethylnonane-1,4-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

N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
CID 14837601
N-ethylnonan-3-amine
CID 60996683
1-(ethylamino)decan-4-ol
CID 159715833
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N-ethyl-N'-heptan-2-ylpropane-1,3-diamine
CID 62835218
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethylnonane-1,4-diamine?
The IUPAC name of 1-N,4-N-diethylnonane-1,4-diamine (CID 126574797) is 1-N,4-N-diethylnonane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethylnonane-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethylnonane-1,4-diamine is CCCCCC(CCCNCC)NCC.
What is the InChIKey of 1-N,4-N-diethylnonane-1,4-diamine?
The InChIKey is DAESFPQRBIIPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-4-7-8-10-13(15-6-3)11-9-12-14-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N,4-N-diethylnonane-1,4-diamine?
1-N,4-N-diethylnonane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethylnonane-1,4-diamine is sourced from PubChem (CID 126574797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).