4-ethyloctane-1,6-diamine

C10H24N2 — CID 89464533

IUPAC4-ethyloctane-1,6-diamine
SMILESCCC(N)CC(CC)CCCN
InChIInChI=1S/C10H24N2/c1-3-9(6-5-7-11)8-10(12)4-2/h9-10H,3-8,11-12H2,1-2H3
InChIKeyWOJRGZBQZZTWEI-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.88
Rot. Bonds7

About 4-ethyloctane-1,6-diamine

4-ethyloctane-1,6-diamine (PubChem CID 89464533) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 4-ethyloctane-1,6-diamine.

Molecular Properties

Compound Name4-ethyloctane-1,6-diamine
PubChem CID89464533
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name4-ethyloctane-1,6-diamine
SMILESCCC(N)CC(CC)CCCN
InChIInChI=1S/C10H24N2/c1-3-9(6-5-7-11)8-10(12)4-2/h9-10H,3-8,11-12H2,1-2H3
InChIKeyWOJRGZBQZZTWEI-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-methylheptane-1,7-diamine
CID 18353547
hexane-1,4-diamine;trihydrate
CID 173409010
hexane-1,4-diamine;hydrochloride
CID 118144198
heptane-1,3,5-triamine
CID 89360326
12-ethyltetradecan-1-amine
CID 87456130
2-propylhexane-1,4-diamine
CID 174915124
4-amino-2-ethylhexan-1-ol
CID 148917024
7-ethyl-3-methylundecan-5-amine
CID 115806452
(5R)-heptane-3,5-diamine
CID 118180613
2-ethylundecane-1,11-diamine
CID 118354607
6-ethyldec-1-en-4-amine
CID 116660443
6-ethyloctan-4-amine
CID 82920638

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctane-1,6-diamine?
The IUPAC name of 4-ethyloctane-1,6-diamine (CID 89464533) is 4-ethyloctane-1,6-diamine.
What is the SMILES notation for 4-ethyloctane-1,6-diamine?
The canonical SMILES for 4-ethyloctane-1,6-diamine is CCC(N)CC(CC)CCCN.
What is the InChIKey of 4-ethyloctane-1,6-diamine?
The InChIKey is WOJRGZBQZZTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-9(6-5-7-11)8-10(12)4-2/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 4-ethyloctane-1,6-diamine?
4-ethyloctane-1,6-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctane-1,6-diamine is sourced from PubChem (CID 89464533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).