6-methoxy-N,2,6-trimethylhept-2-en-4-amine

C11H23NO — CID 103028495

IUPAC6-methoxy-N,2,6-trimethylhept-2-en-4-amine
SMILESCNC(C=C(C)C)CC(C)(C)OC
InChIInChI=1S/C11H23NO/c1-9(2)7-10(12-5)8-11(3,4)13-6/h7,10,12H,8H2,1-6H3
InChIKeyVUZKHEHLQJKQPN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds5

About 6-methoxy-N,2,6-trimethylhept-2-en-4-amine

6-methoxy-N,2,6-trimethylhept-2-en-4-amine (PubChem CID 103028495) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-methoxy-N,2,6-trimethylhept-2-en-4-amine.

Molecular Properties

Compound Name6-methoxy-N,2,6-trimethylhept-2-en-4-amine
PubChem CID103028495
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-methoxy-N,2,6-trimethylhept-2-en-4-amine
SMILESCNC(C=C(C)C)CC(C)(C)OC
InChIInChI=1S/C11H23NO/c1-9(2)7-10(12-5)8-11(3,4)13-6/h7,10,12H,8H2,1-6H3
InChIKeyVUZKHEHLQJKQPN-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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

N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
7-methoxy-N,2-dimethylhept-2-en-4-amine
CID 79177504
1-methoxy-N,5-dimethylhex-4-en-3-amine
CID 79190408
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
1-methoxy-5-methyl-N-propylhex-4-en-3-amine
CID 79190626
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
5-methoxy-N,5-dimethylhex-1-en-3-amine
CID 103028036
N-ethyl-5-methoxy-5-methylhex-1-en-3-amine
CID 103028094
5-methoxy-5-methyl-N-propylhex-1-en-3-amine
CID 103028095
6-Methoxy-2,6-dimethylhept-2-en-4-amine
CID 103028496

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2,6-trimethylhept-2-en-4-amine?
The IUPAC name of 6-methoxy-N,2,6-trimethylhept-2-en-4-amine (CID 103028495) is 6-methoxy-N,2,6-trimethylhept-2-en-4-amine.
What is the SMILES notation for 6-methoxy-N,2,6-trimethylhept-2-en-4-amine?
The canonical SMILES for 6-methoxy-N,2,6-trimethylhept-2-en-4-amine is CNC(C=C(C)C)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,2,6-trimethylhept-2-en-4-amine?
The InChIKey is VUZKHEHLQJKQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-10(12-5)8-11(3,4)13-6/h7,10,12H,8H2,1-6H3.
What are the key properties of 6-methoxy-N,2,6-trimethylhept-2-en-4-amine?
6-methoxy-N,2,6-trimethylhept-2-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2,6-trimethylhept-2-en-4-amine is sourced from PubChem (CID 103028495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).