1-ethoxy-3-methylhexan-2-amine

C9H21NO — CID 105007979

IUPAC1-ethoxy-3-methylhexan-2-amine
SMILESCCCC(C)C(N)COCC
InChIInChI=1S/C9H21NO/c1-4-6-8(3)9(10)7-11-5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyIRKACSJTXWANQJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 1-ethoxy-3-methylhexan-2-amine

1-ethoxy-3-methylhexan-2-amine (PubChem CID 105007979) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-ethoxy-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-methylhexan-2-amine
PubChem CID105007979
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-ethoxy-3-methylhexan-2-amine
SMILESCCCC(C)C(N)COCC
InChIInChI=1S/C9H21NO/c1-4-6-8(3)9(10)7-11-5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyIRKACSJTXWANQJ-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-propoxyhexan-2-amine
CID 105008414
1-methoxy-3-methylhexan-2-amine
CID 105008836
1,3-diethoxybutan-2-amine
CID 79574517
1-ethoxypentan-2-amine
CID 62042543
3-methyl-1-propoxypentan-2-amine
CID 79446501
7-ethoxy-1-methoxy-3-methylheptan-4-amine
CID 105185117
4-methyltetradecan-5-amine
CID 115831509
2,2,5-trimethyloctan-4-amine
CID 107893664
(2S)-pentan-2-amine
CID 6997344
1-ethoxypentan-2-ol
CID 21201051
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
1,4-diethoxy-2-methylbutane
CID 59899860

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylhexan-2-amine?
The IUPAC name of 1-ethoxy-3-methylhexan-2-amine (CID 105007979) is 1-ethoxy-3-methylhexan-2-amine.
What is the SMILES notation for 1-ethoxy-3-methylhexan-2-amine?
The canonical SMILES for 1-ethoxy-3-methylhexan-2-amine is CCCC(C)C(N)COCC.
What is the InChIKey of 1-ethoxy-3-methylhexan-2-amine?
The InChIKey is IRKACSJTXWANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-8(3)9(10)7-11-5-2/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-ethoxy-3-methylhexan-2-amine?
1-ethoxy-3-methylhexan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylhexan-2-amine is sourced from PubChem (CID 105007979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).