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

C9H19NO — CID 103028036

IUPAC5-methoxy-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(CC(C)(C)OC)NC
InChIInChI=1S/C9H19NO/c1-6-8(10-4)7-9(2,3)11-5/h6,8,10H,1,7H2,2-5H3
InChIKeyXJKUFGPASFIMKD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds5

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

5-methoxy-N,5-dimethylhex-1-en-3-amine (PubChem CID 103028036) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-methoxy-N,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name5-methoxy-N,5-dimethylhex-1-en-3-amine
PubChem CID103028036
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-methoxy-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(CC(C)(C)OC)NC
InChIInChI=1S/C9H19NO/c1-6-8(10-4)7-9(2,3)11-5/h6,8,10H,1,7H2,2-5H3
InChIKeyXJKUFGPASFIMKD-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
CID 43146954
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
N-ethyl-2-methoxy-2-methylhex-5-en-3-amine
CID 79196992
2-methoxy-N,2-dimethylhept-6-en-3-amine
CID 79197556
2-methoxy-N,2-dimethylhex-5-en-3-amine
CID 79197791
2-methoxy-2-methyl-N-propylhept-6-en-3-amine
CID 79197937
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
N-ethyl-2-methoxy-2-methylhept-6-en-3-amine
CID 79198617
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,5-dimethylhex-1-en-3-amine?
The IUPAC name of 5-methoxy-N,5-dimethylhex-1-en-3-amine (CID 103028036) is 5-methoxy-N,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for 5-methoxy-N,5-dimethylhex-1-en-3-amine?
The canonical SMILES for 5-methoxy-N,5-dimethylhex-1-en-3-amine is C=CC(CC(C)(C)OC)NC.
What is the InChIKey of 5-methoxy-N,5-dimethylhex-1-en-3-amine?
The InChIKey is XJKUFGPASFIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-8(10-4)7-9(2,3)11-5/h6,8,10H,1,7H2,2-5H3.
What are the key properties of 5-methoxy-N,5-dimethylhex-1-en-3-amine?
5-methoxy-N,5-dimethylhex-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 103028036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).