6-ethyl-3-methyloctan-4-amine

C11H25N — CID 82922428

IUPAC6-ethyl-3-methyloctan-4-amine
SMILESCCC(CC)CC(N)C(C)CC
InChIInChI=1S/C11H25N/c1-5-9(4)11(12)8-10(6-2)7-3/h9-11H,5-8,12H2,1-4H3
InChIKeyZIEFKYNHXLLGCH-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds6

About 6-ethyl-3-methyloctan-4-amine

6-ethyl-3-methyloctan-4-amine (PubChem CID 82922428) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 6-ethyl-3-methyloctan-4-amine.

Molecular Properties

Compound Name6-ethyl-3-methyloctan-4-amine
PubChem CID82922428
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name6-ethyl-3-methyloctan-4-amine
SMILESCCC(CC)CC(N)C(C)CC
InChIInChI=1S/C11H25N/c1-5-9(4)11(12)8-10(6-2)7-3/h9-11H,5-8,12H2,1-4H3
InChIKeyZIEFKYNHXLLGCH-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

(4S)-2,5-dimethylheptan-4-amine
CID 145304890
3,6,7,8-tetramethylnonan-4-amine
CID 138714564
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
(5S)-3-ethyl-5-methylheptane
CID 59094044
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
6-ethyl-4-methyldecan-3-amine
CID 63562264

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyloctan-4-amine?
The IUPAC name of 6-ethyl-3-methyloctan-4-amine (CID 82922428) is 6-ethyl-3-methyloctan-4-amine.
What is the SMILES notation for 6-ethyl-3-methyloctan-4-amine?
The canonical SMILES for 6-ethyl-3-methyloctan-4-amine is CCC(CC)CC(N)C(C)CC.
What is the InChIKey of 6-ethyl-3-methyloctan-4-amine?
The InChIKey is ZIEFKYNHXLLGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-9(4)11(12)8-10(6-2)7-3/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 6-ethyl-3-methyloctan-4-amine?
6-ethyl-3-methyloctan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyloctan-4-amine is sourced from PubChem (CID 82922428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).