6-methoxy-N,2,5-trimethylhex-1-en-3-amine

C10H21NO — CID 105163815

IUPAC6-methoxy-N,2,5-trimethylhex-1-en-3-amine
SMILESC=C(C)C(CC(C)COC)NC
InChIInChI=1S/C10H21NO/c1-8(2)10(11-4)6-9(3)7-12-5/h9-11H,1,6-7H2,2-5H3
InChIKeyQMQOUJOWOXKTGH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds6

About 6-methoxy-N,2,5-trimethylhex-1-en-3-amine

6-methoxy-N,2,5-trimethylhex-1-en-3-amine (PubChem CID 105163815) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-methoxy-N,2,5-trimethylhex-1-en-3-amine.

Molecular Properties

Compound Name6-methoxy-N,2,5-trimethylhex-1-en-3-amine
PubChem CID105163815
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-methoxy-N,2,5-trimethylhex-1-en-3-amine
SMILESC=C(C)C(CC(C)COC)NC
InChIInChI=1S/C10H21NO/c1-8(2)10(11-4)6-9(3)7-12-5/h9-11H,1,6-7H2,2-5H3
InChIKeyQMQOUJOWOXKTGH-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.82
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-N,2,7-trimethyloct-7-en-4-amine
CID 105182739
(3S)-N,2,5-trimethylhex-1-en-3-amine
CID 88572418
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
N,2,5-trimethylhexa-1,5-dien-3-amine
CID 130348735
7-methoxy-5-methyl-3-(methylamino)heptan-2-one
CID 163447432
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
2-formamido-5-methoxy-4-methylpentanoic acid
CID 116502113
1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
CID 105185179

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2,5-trimethylhex-1-en-3-amine?
The IUPAC name of 6-methoxy-N,2,5-trimethylhex-1-en-3-amine (CID 105163815) is 6-methoxy-N,2,5-trimethylhex-1-en-3-amine.
What is the SMILES notation for 6-methoxy-N,2,5-trimethylhex-1-en-3-amine?
The canonical SMILES for 6-methoxy-N,2,5-trimethylhex-1-en-3-amine is C=C(C)C(CC(C)COC)NC.
What is the InChIKey of 6-methoxy-N,2,5-trimethylhex-1-en-3-amine?
The InChIKey is QMQOUJOWOXKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(11-4)6-9(3)7-12-5/h9-11H,1,6-7H2,2-5H3.
What are the key properties of 6-methoxy-N,2,5-trimethylhex-1-en-3-amine?
6-methoxy-N,2,5-trimethylhex-1-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2,5-trimethylhex-1-en-3-amine is sourced from PubChem (CID 105163815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).