(Z)-4-ethoxy-2-methylhex-4-en-3-amine

C9H19NO — CID 142810073

IUPAC(Z)-4-ethoxy-2-methylhex-4-en-3-amine
SMILESC/C=C(\OCC)C(N)C(C)C
InChIInChI=1S/C9H19NO/c1-5-8(11-6-2)9(10)7(3)4/h5,7,9H,6,10H2,1-4H3/b8-5-
InChIKeyUFKITZRVIMGOAB-YVMONPNESA-N
MW157.26 g/mol
LogP1.91
Rot. Bonds4

About (Z)-4-ethoxy-2-methylhex-4-en-3-amine

(Z)-4-ethoxy-2-methylhex-4-en-3-amine (PubChem CID 142810073) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-4-ethoxy-2-methylhex-4-en-3-amine.

Molecular Properties

Compound Name(Z)-4-ethoxy-2-methylhex-4-en-3-amine
PubChem CID142810073
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-4-ethoxy-2-methylhex-4-en-3-amine
SMILESC/C=C(\OCC)C(N)C(C)C
InChIInChI=1S/C9H19NO/c1-5-8(11-6-2)9(10)7(3)4/h5,7,9H,6,10H2,1-4H3/b8-5-
InChIKeyUFKITZRVIMGOAB-YVMONPNESA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3H-phentolamine
CID 20028870
2-Butoxy-4-fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68244552
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312381
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
CID 143076621
(4R,5Z)-5-methoxynona-1,5-dien-4-amine
CID 88260651
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine
CID 89153811
(1S)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
CID 89246236

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-2-methylhex-4-en-3-amine?
The IUPAC name of (Z)-4-ethoxy-2-methylhex-4-en-3-amine (CID 142810073) is (Z)-4-ethoxy-2-methylhex-4-en-3-amine.
What is the SMILES notation for (Z)-4-ethoxy-2-methylhex-4-en-3-amine?
The canonical SMILES for (Z)-4-ethoxy-2-methylhex-4-en-3-amine is C/C=C(\OCC)C(N)C(C)C.
What is the InChIKey of (Z)-4-ethoxy-2-methylhex-4-en-3-amine?
The InChIKey is UFKITZRVIMGOAB-YVMONPNESA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(11-6-2)9(10)7(3)4/h5,7,9H,6,10H2,1-4H3/b8-5-.
What are the key properties of (Z)-4-ethoxy-2-methylhex-4-en-3-amine?
(Z)-4-ethoxy-2-methylhex-4-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-2-methylhex-4-en-3-amine is sourced from PubChem (CID 142810073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).