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

C9H19NO — CID 116719913

IUPAC4-methoxy-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(NC)C(OC)C(C)C
InChIInChI=1S/C9H19NO/c1-6-8(10-4)9(11-5)7(2)3/h6-10H,1H2,2-5H3
InChIKeyVZHREJRPOSYJHB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.43
Rot. Bonds5

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

4-methoxy-N,5-dimethylhex-1-en-3-amine (PubChem CID 116719913) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methoxy-N,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name4-methoxy-N,5-dimethylhex-1-en-3-amine
PubChem CID116719913
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methoxy-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(NC)C(OC)C(C)C
InChIInChI=1S/C9H19NO/c1-6-8(10-4)9(11-5)7(2)3/h6-10H,1H2,2-5H3
InChIKeyVZHREJRPOSYJHB-UHFFFAOYSA-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

4-ethoxy-N,5-dimethylhex-1-en-3-amine
CID 116721057
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918
1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine
CID 116722148
3,4,5-trimethoxy-2,6-dimethylheptane
CID 58100186
3-methoxy-N,2-dimethylheptan-4-amine
CID 116719993
1-cyclopropyl-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720061
5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
CID 116720118
bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
CID 159672418
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol
CID 144582280
1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
CID 116720146
ethenyl-hydroxy-methoxy-methylphosphanium
CID 155679791

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,5-dimethylhex-1-en-3-amine?
The IUPAC name of 4-methoxy-N,5-dimethylhex-1-en-3-amine (CID 116719913) is 4-methoxy-N,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for 4-methoxy-N,5-dimethylhex-1-en-3-amine?
The canonical SMILES for 4-methoxy-N,5-dimethylhex-1-en-3-amine is C=CC(NC)C(OC)C(C)C.
What is the InChIKey of 4-methoxy-N,5-dimethylhex-1-en-3-amine?
The InChIKey is VZHREJRPOSYJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-8(10-4)9(11-5)7(2)3/h6-10H,1H2,2-5H3.
What are the key properties of 4-methoxy-N,5-dimethylhex-1-en-3-amine?
4-methoxy-N,5-dimethylhex-1-en-3-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 4-methoxy-N,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 116719913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).