3-ethyloctan-3-amine

C10H23N — CID 19350108

IUPAC3-ethyloctan-3-amine
SMILESCCCCCC(N)(CC)CC
InChIInChI=1S/C10H23N/c1-4-7-8-9-10(11,5-2)6-3/h4-9,11H2,1-3H3
InChIKeyXKRGXCUZHCDBHJ-UHFFFAOYSA-N
MW157.30 g/mol
LogP3.08
Rot. Bonds6

About 3-ethyloctan-3-amine

3-ethyloctan-3-amine (PubChem CID 19350108) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-ethyloctan-3-amine.

Molecular Properties

Compound Name3-ethyloctan-3-amine
PubChem CID19350108
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-ethyloctan-3-amine
SMILESCCCCCC(N)(CC)CC
InChIInChI=1S/C10H23N/c1-4-7-8-9-10(11,5-2)6-3/h4-9,11H2,1-3H3
InChIKeyXKRGXCUZHCDBHJ-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylnonadecan-3-amine
CID 19028625
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
6-ethylundecan-6-amine
CID 173250227
3-ethylheptan-3-amine
CID 12708037
11-decylhenicosan-11-amine
CID 19847882
3-ethyloctane-1,3-diamine
CID 91122286
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185

Frequently Asked Questions

What is the IUPAC name of 3-ethyloctan-3-amine?
The IUPAC name of 3-ethyloctan-3-amine (CID 19350108) is 3-ethyloctan-3-amine.
What is the SMILES notation for 3-ethyloctan-3-amine?
The canonical SMILES for 3-ethyloctan-3-amine is CCCCCC(N)(CC)CC.
What is the InChIKey of 3-ethyloctan-3-amine?
The InChIKey is XKRGXCUZHCDBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-4-7-8-9-10(11,5-2)6-3/h4-9,11H2,1-3H3.
What are the key properties of 3-ethyloctan-3-amine?
3-ethyloctan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctan-3-amine is sourced from PubChem (CID 19350108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).