N,N'-diethylpentane-1,5-diamine

C9H22N2 — CID 15013244

IUPACN,N'-diethylpentane-1,5-diamine
SMILESCCNCCCCCNCC
InChIInChI=1S/C9H22N2/c1-3-10-8-6-5-7-9-11-4-2/h10-11H,3-9H2,1-2H3
InChIKeyBZRMPKDZBITGKE-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.38
Rot. Bonds8

About N,N'-diethylpentane-1,5-diamine

N,N'-diethylpentane-1,5-diamine (PubChem CID 15013244) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N,N'-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-diethylpentane-1,5-diamine
PubChem CID15013244
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN,N'-diethylpentane-1,5-diamine
SMILESCCNCCCCCNCC
InChIInChI=1S/C9H22N2/c1-3-10-8-6-5-7-9-11-4-2/h10-11H,3-9H2,1-2H3
InChIKeyBZRMPKDZBITGKE-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-diethylpentane-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

N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyl-7-iodoheptan-1-amine
CID 152937325
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
lithium;N-ethylhexan-1-amine;hydride
CID 174419930
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
5-bromo-N-ethylpentan-1-amine
CID 104505485

Frequently Asked Questions

What is the IUPAC name of N,N'-diethylpentane-1,5-diamine?
The IUPAC name of N,N'-diethylpentane-1,5-diamine (CID 15013244) is N,N'-diethylpentane-1,5-diamine.
What is the SMILES notation for N,N'-diethylpentane-1,5-diamine?
The canonical SMILES for N,N'-diethylpentane-1,5-diamine is CCNCCCCCNCC.
What is the InChIKey of N,N'-diethylpentane-1,5-diamine?
The InChIKey is BZRMPKDZBITGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-10-8-6-5-7-9-11-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N'-diethylpentane-1,5-diamine?
N,N'-diethylpentane-1,5-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylpentane-1,5-diamine is sourced from PubChem (CID 15013244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).