2-ethoxy-2-methylhept-6-en-3-amine

C10H21NO — CID 116726330

IUPAC2-ethoxy-2-methylhept-6-en-3-amine
SMILESC=CCCC(N)C(C)(C)OCC
InChIInChI=1S/C10H21NO/c1-5-7-8-9(11)10(3,4)12-6-2/h5,9H,1,6-8,11H2,2-4H3
InChIKeyXTQHKZGFNZWIBW-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 2-ethoxy-2-methylhept-6-en-3-amine

2-ethoxy-2-methylhept-6-en-3-amine (PubChem CID 116726330) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethoxy-2-methylhept-6-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-2-methylhept-6-en-3-amine
PubChem CID116726330
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethoxy-2-methylhept-6-en-3-amine
SMILESC=CCCC(N)C(C)(C)OCC
InChIInChI=1S/C10H21NO/c1-5-7-8-9(11)10(3,4)12-6-2/h5,9H,1,6-8,11H2,2-4H3
InChIKeyXTQHKZGFNZWIBW-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine
CID 163597620
1-Ethenoxy-3-propylhex-5-en-2-amine
CID 54093233
2-Methyl-2-prop-2-enoxyhex-5-en-3-amine
CID 87299855
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
1-Hept-6-en-2-yloxy-3-methylbutan-2-amine
CID 90282343
1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine
CID 90282344
(2R)-1-hept-6-enoxy-3-methylbutan-2-amine
CID 90282345
(2R)-1-hept-6-en-2-yloxy-3-methylbutan-2-amine
CID 90282347
4-But-3-enoxy-4-methylpentan-2-amine
CID 90749707
5-Methoxy-5-methylhept-1-en-4-amine
CID 116757253
(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine
CID 147936225
(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine
CID 11745084

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylhept-6-en-3-amine?
The IUPAC name of 2-ethoxy-2-methylhept-6-en-3-amine (CID 116726330) is 2-ethoxy-2-methylhept-6-en-3-amine.
What is the SMILES notation for 2-ethoxy-2-methylhept-6-en-3-amine?
The canonical SMILES for 2-ethoxy-2-methylhept-6-en-3-amine is C=CCCC(N)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methylhept-6-en-3-amine?
The InChIKey is XTQHKZGFNZWIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-8-9(11)10(3,4)12-6-2/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 2-ethoxy-2-methylhept-6-en-3-amine?
2-ethoxy-2-methylhept-6-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylhept-6-en-3-amine is sourced from PubChem (CID 116726330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).