4-ethoxy-2-methylheptan-3-amine

C10H23NO — CID 116717495

IUPAC4-ethoxy-2-methylheptan-3-amine
SMILESCCCC(OCC)C(N)C(C)C
InChIInChI=1S/C10H23NO/c1-5-7-9(12-6-2)10(11)8(3)4/h8-10H,5-7,11H2,1-4H3
InChIKeyJLGRRRMSLKNETI-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.17
Rot. Bonds6

About 4-ethoxy-2-methylheptan-3-amine

4-ethoxy-2-methylheptan-3-amine (PubChem CID 116717495) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-ethoxy-2-methylheptan-3-amine.

Molecular Properties

Compound Name4-ethoxy-2-methylheptan-3-amine
PubChem CID116717495
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-ethoxy-2-methylheptan-3-amine
SMILESCCCC(OCC)C(N)C(C)C
InChIInChI=1S/C10H23NO/c1-5-7-9(12-6-2)10(11)8(3)4/h8-10H,5-7,11H2,1-4H3
InChIKeyJLGRRRMSLKNETI-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-ethoxyheptan-4-amine
CID 104932381
(3S)-3-ethoxy-2-methylheptane
CID 3086090
6-ethoxy-3-methylidenenonan-5-amine
CID 116717528
2-ethoxy-3-methylbutan-1-amine
CID 62445436
3-amino-4-methyl-2-propoxypentan-1-ol
CID 114358171
(2S)-pentan-2-amine
CID 6997344
(2S)-3-ethoxybutan-2-amine
CID 64712582
3-ethoxy-2-methyldodecane
CID 78302637
1-bromo-2-ethoxy-3-methylhexane
CID 131861603
2-methyl-3-methylperoxyhexane
CID 89198281
pentan-2-amine;propane
CID 166536368
1-(2-bromophenyl)-3-ethoxyhexan-2-amine
CID 116717551

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methylheptan-3-amine?
The IUPAC name of 4-ethoxy-2-methylheptan-3-amine (CID 116717495) is 4-ethoxy-2-methylheptan-3-amine.
What is the SMILES notation for 4-ethoxy-2-methylheptan-3-amine?
The canonical SMILES for 4-ethoxy-2-methylheptan-3-amine is CCCC(OCC)C(N)C(C)C.
What is the InChIKey of 4-ethoxy-2-methylheptan-3-amine?
The InChIKey is JLGRRRMSLKNETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-7-9(12-6-2)10(11)8(3)4/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 4-ethoxy-2-methylheptan-3-amine?
4-ethoxy-2-methylheptan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methylheptan-3-amine is sourced from PubChem (CID 116717495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).