6-methoxy-2,6-dimethylhept-2-en-4-amine

C10H21NO — CID 103028496

IUPAC6-methoxy-2,6-dimethylhept-2-en-4-amine
SMILESCOC(C)(C)CC(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-9(11)7-10(3,4)12-5/h6,9H,7,11H2,1-5H3
InChIKeyVOZSRMPIOIPXNQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds4

About 6-methoxy-2,6-dimethylhept-2-en-4-amine

6-methoxy-2,6-dimethylhept-2-en-4-amine (PubChem CID 103028496) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethylhept-2-en-4-amine.

Molecular Properties

Compound Name6-methoxy-2,6-dimethylhept-2-en-4-amine
PubChem CID103028496
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-methoxy-2,6-dimethylhept-2-en-4-amine
SMILESCOC(C)(C)CC(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-9(11)7-10(3,4)12-5/h6,9H,7,11H2,1-5H3
InChIKeyVOZSRMPIOIPXNQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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

5-Amino-3,7-dimethylocta-1,6-dien-3-ol
CID 122579862
5-Methoxy-3,5-dimethylhex-2-en-1-amine
CID 76996922
6-Methoxy-4,6-dimethylhept-3-en-1-amine
CID 76997292
1-Methoxy-5-methylhex-4-en-3-amine
CID 79190406
(6-Methoxy-2,6-dimethylhept-2-en-4-yl)hydrazine
CID 103025387
5-Methoxy-5-methylhex-1-en-3-amine
CID 103028038
6-methoxy-N,2,6-trimethylhept-2-en-4-amine
CID 103028495
N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine
CID 103028497
6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine
CID 103028498
5-Methoxy-2,5-dimethylhex-1-en-3-amine
CID 103028500
1-(1-Methoxycyclobutyl)-4-methylpent-3-en-2-amine
CID 103559551
6-Methoxy-2-methylhept-2-en-4-amine
CID 104250650

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,6-dimethylhept-2-en-4-amine?
The IUPAC name of 6-methoxy-2,6-dimethylhept-2-en-4-amine (CID 103028496) is 6-methoxy-2,6-dimethylhept-2-en-4-amine.
What is the SMILES notation for 6-methoxy-2,6-dimethylhept-2-en-4-amine?
The canonical SMILES for 6-methoxy-2,6-dimethylhept-2-en-4-amine is COC(C)(C)CC(N)C=C(C)C.
What is the InChIKey of 6-methoxy-2,6-dimethylhept-2-en-4-amine?
The InChIKey is VOZSRMPIOIPXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-9(11)7-10(3,4)12-5/h6,9H,7,11H2,1-5H3.
What are the key properties of 6-methoxy-2,6-dimethylhept-2-en-4-amine?
6-methoxy-2,6-dimethylhept-2-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,6-dimethylhept-2-en-4-amine is sourced from PubChem (CID 103028496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).