3-ethylheptan-3-amine

C9H21N — CID 12708037

IUPAC3-ethylheptan-3-amine
SMILESCCCCC(N)(CC)CC
InChIInChI=1S/C9H21N/c1-4-7-8-9(10,5-2)6-3/h4-8,10H2,1-3H3
InChIKeyJFKXMFQLKZLMLM-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.69
Rot. Bonds5

About 3-ethylheptan-3-amine

3-ethylheptan-3-amine (PubChem CID 12708037) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethylheptan-3-amine.

Molecular Properties

Compound Name3-ethylheptan-3-amine
PubChem CID12708037
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethylheptan-3-amine
SMILESCCCCC(N)(CC)CC
InChIInChI=1S/C9H21N/c1-4-7-8-9(10,5-2)6-3/h4-8,10H2,1-3H3
InChIKeyJFKXMFQLKZLMLM-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyloctan-3-amine
CID 19350108
5-ethylnonan-5-amine;hydrochloride
CID 174766496
3-ethylnonadecan-3-amine
CID 19028625
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
6-ethylundecan-6-amine
CID 173250227
5-butylhexadecan-5-amine
CID 22244897
azane;3-ethylhexan-3-amine
CID 18676269
1-butoxy-3-ethylheptan-3-amine
CID 65019696
3-ethyloctane-1,3-diamine
CID 91122286
11-decylhenicosan-11-amine
CID 19847882
5-ethyl-2-methoxy-2-methylnonan-5-amine
CID 103017124
5-(2-methylpropyl)nonan-5-amine
CID 88761377

Frequently Asked Questions

What is the IUPAC name of 3-ethylheptan-3-amine?
The IUPAC name of 3-ethylheptan-3-amine (CID 12708037) is 3-ethylheptan-3-amine.
What is the SMILES notation for 3-ethylheptan-3-amine?
The canonical SMILES for 3-ethylheptan-3-amine is CCCCC(N)(CC)CC.
What is the InChIKey of 3-ethylheptan-3-amine?
The InChIKey is JFKXMFQLKZLMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-7-8-9(10,5-2)6-3/h4-8,10H2,1-3H3.
What are the key properties of 3-ethylheptan-3-amine?
3-ethylheptan-3-amine has a molecular weight of 143.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylheptan-3-amine is sourced from PubChem (CID 12708037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).