2-ethyl-4-methyloctan-1-amine

C11H25N — CID 21358746

IUPAC2-ethyl-4-methyloctan-1-amine
SMILESCCCCC(C)CC(CC)CN
InChIInChI=1S/C11H25N/c1-4-6-7-10(3)8-11(5-2)9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyISLKKRIPWHQWNG-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds7

About 2-ethyl-4-methyloctan-1-amine

2-ethyl-4-methyloctan-1-amine (PubChem CID 21358746) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-ethyl-4-methyloctan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyloctan-1-amine
PubChem CID21358746
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-ethyl-4-methyloctan-1-amine
SMILESCCCCC(C)CC(CC)CN
InChIInChI=1S/C11H25N/c1-4-6-7-10(3)8-11(5-2)9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyISLKKRIPWHQWNG-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,11-diethyl-7-methylpentadecane
CID 174871265
(2S)-2-ethylhexan-1-amine
CID 6999997
5-ethyl-7-methylhexadecane
CID 173452938
(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
6-ethyl-4-methyldecane
CID 22224210
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-ethylhexan-1-amine;hydrate
CID 173045208
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
CID 87481836
11-ethyl-9-methylhenicosane
CID 154589575
4-ethyl-2-methyloctadecan-1-amine
CID 139984402
8-ethyl-4,6-dimethyldodecane
CID 123186055
2-butylhexan-1-amine
CID 54041151

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyloctan-1-amine?
The IUPAC name of 2-ethyl-4-methyloctan-1-amine (CID 21358746) is 2-ethyl-4-methyloctan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyloctan-1-amine?
The canonical SMILES for 2-ethyl-4-methyloctan-1-amine is CCCCC(C)CC(CC)CN.
What is the InChIKey of 2-ethyl-4-methyloctan-1-amine?
The InChIKey is ISLKKRIPWHQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-4-6-7-10(3)8-11(5-2)9-12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-ethyl-4-methyloctan-1-amine?
2-ethyl-4-methyloctan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyloctan-1-amine is sourced from PubChem (CID 21358746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).