2-methoxy-N,2,5-trimethylhex-4-en-3-amine

C10H21NO — CID 79198368

IUPAC2-methoxy-N,2,5-trimethylhex-4-en-3-amine
SMILESCNC(C=C(C)C)C(C)(C)OC
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11-5)10(3,4)12-6/h7,9,11H,1-6H3
InChIKeyFMLSKIVKFAKVBJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds4

About 2-methoxy-N,2,5-trimethylhex-4-en-3-amine

2-methoxy-N,2,5-trimethylhex-4-en-3-amine (PubChem CID 79198368) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methoxy-N,2,5-trimethylhex-4-en-3-amine.

Molecular Properties

Compound Name2-methoxy-N,2,5-trimethylhex-4-en-3-amine
PubChem CID79198368
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methoxy-N,2,5-trimethylhex-4-en-3-amine
SMILESCNC(C=C(C)C)C(C)(C)OC
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11-5)10(3,4)12-6/h7,9,11H,1-6H3
InChIKeyFMLSKIVKFAKVBJ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 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 ≤ 51.97
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

(3R)-4-methoxy-N,2-dimethylhex-4-en-3-amine
CID 173558129
(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine
CID 174208388
2-ethoxy-N,5-dimethylhex-4-en-3-amine
CID 79179259
1-ethoxy-N,4-dimethylpent-3-en-2-amine
CID 79179282
2-ethoxy-N-ethyl-5-methylhex-4-en-3-amine
CID 79179490
1-ethoxy-N-ethyl-4-methylpent-3-en-2-amine
CID 79179511
2-ethoxy-5-methyl-N-propylhex-4-en-3-amine
CID 79179691
1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 79179708
1-methoxy-N,4-dimethylpent-3-en-2-amine
CID 79189746
N-ethyl-1-methoxy-4-methylpent-3-en-2-amine
CID 79189857
1-methoxy-4-methyl-N-propylpent-3-en-2-amine
CID 79189965
N,4-dimethyl-1-propoxypent-3-en-2-amine
CID 79190415

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2,5-trimethylhex-4-en-3-amine?
The IUPAC name of 2-methoxy-N,2,5-trimethylhex-4-en-3-amine (CID 79198368) is 2-methoxy-N,2,5-trimethylhex-4-en-3-amine.
What is the SMILES notation for 2-methoxy-N,2,5-trimethylhex-4-en-3-amine?
The canonical SMILES for 2-methoxy-N,2,5-trimethylhex-4-en-3-amine is CNC(C=C(C)C)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2,5-trimethylhex-4-en-3-amine?
The InChIKey is FMLSKIVKFAKVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-9(11-5)10(3,4)12-6/h7,9,11H,1-6H3.
What are the key properties of 2-methoxy-N,2,5-trimethylhex-4-en-3-amine?
2-methoxy-N,2,5-trimethylhex-4-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2,5-trimethylhex-4-en-3-amine is sourced from PubChem (CID 79198368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).