1-ethoxy-N,5-dimethylhex-4-en-3-amine

C10H21NO — CID 105163329

IUPAC1-ethoxy-N,5-dimethylhex-4-en-3-amine
SMILESCCOCCC(C=C(C)C)NC
InChIInChI=1S/C10H21NO/c1-5-12-7-6-10(11-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3
InChIKeyUKMWWSRKLBWHGD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About 1-ethoxy-N,5-dimethylhex-4-en-3-amine

1-ethoxy-N,5-dimethylhex-4-en-3-amine (PubChem CID 105163329) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-ethoxy-N,5-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Name1-ethoxy-N,5-dimethylhex-4-en-3-amine
PubChem CID105163329
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-ethoxy-N,5-dimethylhex-4-en-3-amine
SMILESCCOCCC(C=C(C)C)NC
InChIInChI=1S/C10H21NO/c1-5-12-7-6-10(11-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3
InChIKeyUKMWWSRKLBWHGD-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine
CID 105163264
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
(1-ethoxy-4-methylpent-3-en-2-yl)hydrazine
CID 105235434
N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
CID 105163437
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
3-ethoxy-2-(methylamino)propanal
CID 162184376
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
5-methyl-1-propoxyhex-4-en-3-amine
CID 105163317
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
2-(2-ethoxyethyl)-N-methylpentan-1-amine
CID 62530717

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N,5-dimethylhex-4-en-3-amine?
The IUPAC name of 1-ethoxy-N,5-dimethylhex-4-en-3-amine (CID 105163329) is 1-ethoxy-N,5-dimethylhex-4-en-3-amine.
What is the SMILES notation for 1-ethoxy-N,5-dimethylhex-4-en-3-amine?
The canonical SMILES for 1-ethoxy-N,5-dimethylhex-4-en-3-amine is CCOCCC(C=C(C)C)NC.
What is the InChIKey of 1-ethoxy-N,5-dimethylhex-4-en-3-amine?
The InChIKey is UKMWWSRKLBWHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-12-7-6-10(11-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 1-ethoxy-N,5-dimethylhex-4-en-3-amine?
1-ethoxy-N,5-dimethylhex-4-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,5-dimethylhex-4-en-3-amine is sourced from PubChem (CID 105163329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).