1-N-ethylhexane-1,4-diamine

C8H20N2 — CID 88709722

IUPAC1-N-ethylhexane-1,4-diamine
SMILESCCNCCCC(N)CC
InChIInChI=1S/C8H20N2/c1-3-8(9)6-5-7-10-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyDPWMLTPWHWTYAF-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds6

About 1-N-ethylhexane-1,4-diamine

1-N-ethylhexane-1,4-diamine (PubChem CID 88709722) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N-ethylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethylhexane-1,4-diamine
PubChem CID88709722
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N-ethylhexane-1,4-diamine
SMILESCCNCCCC(N)CC
InChIInChI=1S/C8H20N2/c1-3-8(9)6-5-7-10-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyDPWMLTPWHWTYAF-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
N-ethyl-9-methylundecan-1-amine
CID 148817249
N-ethyl-11-methyltridecan-1-amine
CID 167239915
tridecan-3-amine
CID 19435959
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
tritriactan-3-amine;hydrochloride
CID 173389490
hexane-1,4-diamine;hydrochloride
CID 118144198
tetradecane-3,11-diamine
CID 170279817
tetradecan-3-amine;hydrobromide
CID 173393490
hexane-1,4-diamine;trihydrate
CID 173409010

Frequently Asked Questions

What is the IUPAC name of 1-N-ethylhexane-1,4-diamine?
The IUPAC name of 1-N-ethylhexane-1,4-diamine (CID 88709722) is 1-N-ethylhexane-1,4-diamine.
What is the SMILES notation for 1-N-ethylhexane-1,4-diamine?
The canonical SMILES for 1-N-ethylhexane-1,4-diamine is CCNCCCC(N)CC.
What is the InChIKey of 1-N-ethylhexane-1,4-diamine?
The InChIKey is DPWMLTPWHWTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-8(9)6-5-7-10-4-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-N-ethylhexane-1,4-diamine?
1-N-ethylhexane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethylhexane-1,4-diamine is sourced from PubChem (CID 88709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).