6-methoxy-2,6-dimethylhept-1-en-4-amine

C10H21NO — CID 103028492

IUPAC6-methoxy-2,6-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(N)CC(C)(C)OC
InChIInChI=1S/C10H21NO/c1-8(2)6-9(11)7-10(3,4)12-5/h9H,1,6-7,11H2,2-5H3
InChIKeyQJFGJRFGJPSLPS-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds5

About 6-methoxy-2,6-dimethylhept-1-en-4-amine

6-methoxy-2,6-dimethylhept-1-en-4-amine (PubChem CID 103028492) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name6-methoxy-2,6-dimethylhept-1-en-4-amine
PubChem CID103028492
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-methoxy-2,6-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(N)CC(C)(C)OC
InChIInChI=1S/C10H21NO/c1-8(2)6-9(11)7-10(3,4)12-5/h9H,1,6-7,11H2,2-5H3
InChIKeyQJFGJRFGJPSLPS-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-Methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine
CID 166855627
1-Methoxy-5-methylhex-5-en-3-amine
CID 79179783
2-Methoxy-2,5-dimethylhex-5-en-3-amine
CID 79197651
2-Methoxy-2-methyloct-7-en-3-amine
CID 79197658
2-Methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79197661
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
(6-Methoxy-2,6-dimethylhept-1-en-4-yl)hydrazine
CID 103025386
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
2-methoxy-N,2-dimethyloct-7-en-4-amine
CID 103027275
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276
N-ethyl-2-methoxy-2-methyloct-7-en-4-amine
CID 103027277
2-methoxy-2-methyl-N-propyloct-7-en-4-amine
CID 103027278

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,6-dimethylhept-1-en-4-amine?
The IUPAC name of 6-methoxy-2,6-dimethylhept-1-en-4-amine (CID 103028492) is 6-methoxy-2,6-dimethylhept-1-en-4-amine.
What is the SMILES notation for 6-methoxy-2,6-dimethylhept-1-en-4-amine?
The canonical SMILES for 6-methoxy-2,6-dimethylhept-1-en-4-amine is C=C(C)CC(N)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-2,6-dimethylhept-1-en-4-amine?
The InChIKey is QJFGJRFGJPSLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-9(11)7-10(3,4)12-5/h9H,1,6-7,11H2,2-5H3.
What are the key properties of 6-methoxy-2,6-dimethylhept-1-en-4-amine?
6-methoxy-2,6-dimethylhept-1-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 5 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-1-en-4-amine is sourced from PubChem (CID 103028492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).