3-ethyloctane-1,3-diamine

C10H24N2 — CID 91122286

IUPAC3-ethyloctane-1,3-diamine
SMILESCCCCCC(N)(CC)CCN
InChIInChI=1S/C10H24N2/c1-3-5-6-7-10(12,4-2)8-9-11/h3-9,11-12H2,1-2H3
InChIKeyAWTWAGAFAXIPNL-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.02
Rot. Bonds7

About 3-ethyloctane-1,3-diamine

3-ethyloctane-1,3-diamine (PubChem CID 91122286) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3-ethyloctane-1,3-diamine.

Molecular Properties

Compound Name3-ethyloctane-1,3-diamine
PubChem CID91122286
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3-ethyloctane-1,3-diamine
SMILESCCCCCC(N)(CC)CCN
InChIInChI=1S/C10H24N2/c1-3-5-6-7-10(12,4-2)8-9-11/h3-9,11-12H2,1-2H3
InChIKeyAWTWAGAFAXIPNL-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

6-ethylundecan-6-amine
CID 173250227
3-ethyloctan-3-amine
CID 19350108
3-ethylnonadecan-3-amine
CID 19028625
4-pentadecylheptane-1,4,7-triamine
CID 156536321
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
5-ethylnonan-5-amine;hydrochloride
CID 174766496
3-ethylpentane-1,3-diamine
CID 22019015
11-decylhenicosan-11-amine
CID 19847882
3-ethylheptan-3-amine
CID 12708037
3-propylheptane-1,3,7-triamine
CID 57060059
2-octyldecane-1,2-diamine
CID 88831195
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489

Frequently Asked Questions

What is the IUPAC name of 3-ethyloctane-1,3-diamine?
The IUPAC name of 3-ethyloctane-1,3-diamine (CID 91122286) is 3-ethyloctane-1,3-diamine.
What is the SMILES notation for 3-ethyloctane-1,3-diamine?
The canonical SMILES for 3-ethyloctane-1,3-diamine is CCCCCC(N)(CC)CCN.
What is the InChIKey of 3-ethyloctane-1,3-diamine?
The InChIKey is AWTWAGAFAXIPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-5-6-7-10(12,4-2)8-9-11/h3-9,11-12H2,1-2H3.
What are the key properties of 3-ethyloctane-1,3-diamine?
3-ethyloctane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctane-1,3-diamine is sourced from PubChem (CID 91122286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).