(E)-1,5,6-trimethoxyhex-4-en-3-amine

C9H19NO3 — CID 89256494

IUPAC(E)-1,5,6-trimethoxyhex-4-en-3-amine
SMILESCOCCC(N)/C=C(\COC)OC
InChIInChI=1S/C9H19NO3/c1-11-5-4-8(10)6-9(13-3)7-12-2/h6,8H,4-5,7,10H2,1-3H3/b9-6+
InChIKeyFZDBWJAFVNRRJK-RMKNXTFCSA-N
MW189.25 g/mol
LogP0.53
Rot. Bonds7

About (E)-1,5,6-trimethoxyhex-4-en-3-amine

(E)-1,5,6-trimethoxyhex-4-en-3-amine (PubChem CID 89256494) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (E)-1,5,6-trimethoxyhex-4-en-3-amine.

Molecular Properties

Compound Name(E)-1,5,6-trimethoxyhex-4-en-3-amine
PubChem CID89256494
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(E)-1,5,6-trimethoxyhex-4-en-3-amine
SMILESCOCCC(N)/C=C(\COC)OC
InChIInChI=1S/C9H19NO3/c1-11-5-4-8(10)6-9(13-3)7-12-2/h6,8H,4-5,7,10H2,1-3H3/b9-6+
InChIKeyFZDBWJAFVNRRJK-RMKNXTFCSA-N
XLogP0.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine
CID 118014786
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
4-methoxy-2-(methylaminomethyl)butanoic acid
CID 117236960
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
1-amino-4-methoxybutan-1-ol
CID 57141832
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102913664

Frequently Asked Questions

What is the IUPAC name of (E)-1,5,6-trimethoxyhex-4-en-3-amine?
The IUPAC name of (E)-1,5,6-trimethoxyhex-4-en-3-amine (CID 89256494) is (E)-1,5,6-trimethoxyhex-4-en-3-amine.
What is the SMILES notation for (E)-1,5,6-trimethoxyhex-4-en-3-amine?
The canonical SMILES for (E)-1,5,6-trimethoxyhex-4-en-3-amine is COCCC(N)/C=C(\COC)OC.
What is the InChIKey of (E)-1,5,6-trimethoxyhex-4-en-3-amine?
The InChIKey is FZDBWJAFVNRRJK-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H19NO3/c1-11-5-4-8(10)6-9(13-3)7-12-2/h6,8H,4-5,7,10H2,1-3H3/b9-6+.
What are the key properties of (E)-1,5,6-trimethoxyhex-4-en-3-amine?
(E)-1,5,6-trimethoxyhex-4-en-3-amine has a molecular weight of 189.25 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5,6-trimethoxyhex-4-en-3-amine is sourced from PubChem (CID 89256494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).