(E)-6-methoxy-N,5-dimethylhex-3-en-2-amine

C9H19NO — CID 103092180

IUPAC(E)-6-methoxy-N,5-dimethylhex-3-en-2-amine
SMILESCNC(C)/C=C/C(C)COC
InChIInChI=1S/C9H19NO/c1-8(7-11-4)5-6-9(2)10-3/h5-6,8-10H,7H2,1-4H3/b6-5+
InChIKeyXSRUCGLXQQAOOY-AATRIKPKSA-N
MW157.26 g/mol
LogP1.43
Rot. Bonds5

About (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine

(E)-6-methoxy-N,5-dimethylhex-3-en-2-amine (PubChem CID 103092180) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine.

Molecular Properties

Compound Name(E)-6-methoxy-N,5-dimethylhex-3-en-2-amine
PubChem CID103092180
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-6-methoxy-N,5-dimethylhex-3-en-2-amine
SMILESCNC(C)/C=C/C(C)COC
InChIInChI=1S/C9H19NO/c1-8(7-11-4)5-6-9(2)10-3/h5-6,8-10H,7H2,1-4H3/b6-5+
InChIKeyXSRUCGLXQQAOOY-AATRIKPKSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.43
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

(Z)-5-ethoxy-N-methylpent-2-en-1-amine
CID 89469234
(Z)-6-methoxy-N-methylhex-3-en-1-amine
CID 117267285
(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine
CID 159076487
(E,2S,5S)-2-methyl-5-(methylamino)hex-3-en-1-ol
CID 159932146
(Z)-N-(1-methoxyethyl)-2-methylhex-3-en-2-amine
CID 163907496
4-[(Z)-hex-3-enoxy]-N-methylbutan-2-amine
CID 169801914
(E)-6-(2-methylpropoxy)hex-3-en-2-amine
CID 169905787
5-Methoxypent-2-enyl-di(propan-2-yl)azanium
CID 4083277
1-ethoxy-N,4-dimethylpent-3-en-2-amine
CID 79179282
1-methoxy-N,4-dimethylpent-3-en-2-amine
CID 79189746
N-ethyl-1-methoxy-4-methylpent-3-en-2-amine
CID 79189857
N,4-dimethyl-1-propoxypent-3-en-2-amine
CID 79190415

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine?
The IUPAC name of (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine (CID 103092180) is (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine.
What is the SMILES notation for (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine?
The canonical SMILES for (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine is CNC(C)/C=C/C(C)COC.
What is the InChIKey of (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine?
The InChIKey is XSRUCGLXQQAOOY-AATRIKPKSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(7-11-4)5-6-9(2)10-3/h5-6,8-10H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine?
(E)-6-methoxy-N,5-dimethylhex-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-N,5-dimethylhex-3-en-2-amine is sourced from PubChem (CID 103092180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).