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

C9H19NO — CID 103028500

IUPAC5-methoxy-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(C)OC
InChIInChI=1S/C9H19NO/c1-7(2)8(10)6-9(3,4)11-5/h8H,1,6,10H2,2-5H3
InChIKeyYZLDPPLVCVCOHN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds4

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

5-methoxy-2,5-dimethylhex-1-en-3-amine (PubChem CID 103028500) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name5-methoxy-2,5-dimethylhex-1-en-3-amine
PubChem CID103028500
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-methoxy-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(C)OC
InChIInChI=1S/C9H19NO/c1-7(2)8(10)6-9(3,4)11-5/h8H,1,6,10H2,2-5H3
InChIKeyYZLDPPLVCVCOHN-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
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-Methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine
CID 88918748
4-Methyl-4-(3-methylbut-3-enoxy)pentan-2-amine
CID 166763406
2-Methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine
CID 166855627
5-Methoxy-2-methylhexa-1,5-dien-3-amine
CID 166855659
1-Methoxy-5-methylhex-5-en-3-amine
CID 79179783
2-Methoxy-2-methylhept-6-en-3-amine
CID 79197423
2-Methoxy-2,5-dimethylhex-5-en-3-amine
CID 79197651
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
(5-Methoxy-2,5-dimethylhex-1-en-3-yl)hydrazine
CID 103025388
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276
5-Methoxy-5-methylhex-1-en-3-amine
CID 103028038
6-methoxy-N,2,6-trimethylhept-1-en-4-amine
CID 103028491

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,5-dimethylhex-1-en-3-amine?
The IUPAC name of 5-methoxy-2,5-dimethylhex-1-en-3-amine (CID 103028500) is 5-methoxy-2,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for 5-methoxy-2,5-dimethylhex-1-en-3-amine?
The canonical SMILES for 5-methoxy-2,5-dimethylhex-1-en-3-amine is C=C(C)C(N)CC(C)(C)OC.
What is the InChIKey of 5-methoxy-2,5-dimethylhex-1-en-3-amine?
The InChIKey is YZLDPPLVCVCOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8(10)6-9(3,4)11-5/h8H,1,6,10H2,2-5H3.
What are the key properties of 5-methoxy-2,5-dimethylhex-1-en-3-amine?
5-methoxy-2,5-dimethylhex-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 103028500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).