6-methoxy-2,5-dimethylhex-1-en-3-amine

C9H19NO — CID 105163566

IUPAC6-methoxy-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)COC
InChIInChI=1S/C9H19NO/c1-7(2)9(10)5-8(3)6-11-4/h8-9H,1,5-6,10H2,2-4H3
InChIKeyFMCXXSIZNUDYFJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds5

About 6-methoxy-2,5-dimethylhex-1-en-3-amine

6-methoxy-2,5-dimethylhex-1-en-3-amine (PubChem CID 105163566) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-methoxy-2,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name6-methoxy-2,5-dimethylhex-1-en-3-amine
PubChem CID105163566
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-methoxy-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)COC
InChIInChI=1S/C9H19NO/c1-7(2)9(10)5-8(3)6-11-4/h8-9H,1,5-6,10H2,2-4H3
InChIKeyFMCXXSIZNUDYFJ-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 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 ≤ 51.56
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

1-Methoxy-2,5-dimethylhex-5-en-1-amine
CID 123303711
(4S)-4-amino-2-ethyl-5-methylhex-5-en-1-ol
CID 124112396
6-Methoxy-2-methylhex-1-en-3-amine
CID 79177285
6-methoxy-N,2-dimethylhex-1-en-3-amine
CID 79177287
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 79177292
2-Methyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 79177961
N,2-dimethyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 79178184
1-Methoxy-5-methylhex-5-en-3-amine
CID 79179783
7-Methoxy-2-methylhept-1-en-4-amine
CID 79185081
3-Methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 79186289
3-Methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186536
5-Methoxy-2,5-dimethylhex-1-en-3-amine
CID 103028500

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-dimethylhex-1-en-3-amine?
The IUPAC name of 6-methoxy-2,5-dimethylhex-1-en-3-amine (CID 105163566) is 6-methoxy-2,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for 6-methoxy-2,5-dimethylhex-1-en-3-amine?
The canonical SMILES for 6-methoxy-2,5-dimethylhex-1-en-3-amine is C=C(C)C(N)CC(C)COC.
What is the InChIKey of 6-methoxy-2,5-dimethylhex-1-en-3-amine?
The InChIKey is FMCXXSIZNUDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(10)5-8(3)6-11-4/h8-9H,1,5-6,10H2,2-4H3.
What are the key properties of 6-methoxy-2,5-dimethylhex-1-en-3-amine?
6-methoxy-2,5-dimethylhex-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 105163566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).