(Z)-4-(1-methoxyethyl)hex-4-en-2-amine

C9H19NO — CID 163745738

IUPAC(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
SMILESC/C=C(/CC(C)N)C(C)OC
InChIInChI=1S/C9H19NO/c1-5-9(6-7(2)10)8(3)11-4/h5,7-8H,6,10H2,1-4H3/b9-5-
InChIKeyLLRSZNYPKHJLKQ-UITAMQMPSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds4

About (Z)-4-(1-methoxyethyl)hex-4-en-2-amine

(Z)-4-(1-methoxyethyl)hex-4-en-2-amine (PubChem CID 163745738) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-4-(1-methoxyethyl)hex-4-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
PubChem CID163745738
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
SMILESC/C=C(/CC(C)N)C(C)OC
InChIInChI=1S/C9H19NO/c1-5-9(6-7(2)10)8(3)11-4/h5,7-8H,6,10H2,1-4H3/b9-5-
InChIKeyLLRSZNYPKHJLKQ-UITAMQMPSA-N
XLogP1.70
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 ≤ 51.70
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

(1R)-5-fluoro-4-propan-2-yloxycyclohex-2-en-1-amine
CID 169580239
4-(Cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine
CID 89073997
(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
(Z)-4-methoxyhept-5-en-1-amine
CID 89153850
(2S)-5-methoxyhept-6-en-2-amine
CID 89153968
4-Cyclopentyloxy-2-methylcyclohex-2-en-1-amine
CID 89154099
(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine
CID 144515512
3-Methyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 145594625
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
[5-(Aminomethyl)-4-ethoxyoct-5-en-2-yl]azanium
CID 164107349
(3R,6R)-6-[(Z)-but-2-en-2-yl]oxan-3-amine
CID 173844489

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methoxyethyl)hex-4-en-2-amine?
The IUPAC name of (Z)-4-(1-methoxyethyl)hex-4-en-2-amine (CID 163745738) is (Z)-4-(1-methoxyethyl)hex-4-en-2-amine.
What is the SMILES notation for (Z)-4-(1-methoxyethyl)hex-4-en-2-amine?
The canonical SMILES for (Z)-4-(1-methoxyethyl)hex-4-en-2-amine is C/C=C(/CC(C)N)C(C)OC.
What is the InChIKey of (Z)-4-(1-methoxyethyl)hex-4-en-2-amine?
The InChIKey is LLRSZNYPKHJLKQ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(6-7(2)10)8(3)11-4/h5,7-8H,6,10H2,1-4H3/b9-5-.
What are the key properties of (Z)-4-(1-methoxyethyl)hex-4-en-2-amine?
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methoxyethyl)hex-4-en-2-amine is sourced from PubChem (CID 163745738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).