2-ethoxy-N-methylhexan-3-amine

C9H21NO — CID 64534795

IUPAC2-ethoxy-N-methylhexan-3-amine
SMILESCCCC(NC)C(C)OCC
InChIInChI=1S/C9H21NO/c1-5-7-9(10-4)8(3)11-6-2/h8-10H,5-7H2,1-4H3
InChIKeyFWQOHCISOIKYSG-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds6

About 2-ethoxy-N-methylhexan-3-amine

2-ethoxy-N-methylhexan-3-amine (PubChem CID 64534795) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-ethoxy-N-methylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-methylhexan-3-amine
PubChem CID64534795
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-ethoxy-N-methylhexan-3-amine
SMILESCCCC(NC)C(C)OCC
InChIInChI=1S/C9H21NO/c1-5-7-9(10-4)8(3)11-6-2/h8-10H,5-7H2,1-4H3
InChIKeyFWQOHCISOIKYSG-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-methylhept-6-yn-3-amine
CID 64532782
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 64539860
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
3-methoxy-N,2-dimethylheptan-4-amine
CID 116719993
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
N,3-dimethyl-1-pentan-2-yloxybutan-2-amine
CID 102981288
N,5,8-trimethylnonan-4-amine
CID 83047737
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
1-ethoxy-N-methylethanamine
CID 57089902
3-(methoxymethyl)-N,2-dimethylheptan-4-amine
CID 83048527
4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103010336

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methylhexan-3-amine?
The IUPAC name of 2-ethoxy-N-methylhexan-3-amine (CID 64534795) is 2-ethoxy-N-methylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-N-methylhexan-3-amine?
The canonical SMILES for 2-ethoxy-N-methylhexan-3-amine is CCCC(NC)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-methylhexan-3-amine?
The InChIKey is FWQOHCISOIKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-7-9(10-4)8(3)11-6-2/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-N-methylhexan-3-amine?
2-ethoxy-N-methylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methylhexan-3-amine is sourced from PubChem (CID 64534795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).