3-methoxy-2-methylhexa-2,4-dien-1-amine

C8H15NO — CID 123607717

IUPAC3-methoxy-2-methylhexa-2,4-dien-1-amine
SMILESCC=CC(OC)=C(C)CN
InChIInChI=1S/C8H15NO/c1-4-5-8(10-3)7(2)6-9/h4-5H,6,9H2,1-3H3
InChIKeyCXKZMNAXXGLVTR-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds3

About 3-methoxy-2-methylhexa-2,4-dien-1-amine

3-methoxy-2-methylhexa-2,4-dien-1-amine (PubChem CID 123607717) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methoxy-2-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methylhexa-2,4-dien-1-amine
PubChem CID123607717
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methoxy-2-methylhexa-2,4-dien-1-amine
SMILESCC=CC(OC)=C(C)CN
InChIInChI=1S/C8H15NO/c1-4-5-8(10-3)7(2)6-9/h4-5H,6,9H2,1-3H3
InChIKeyCXKZMNAXXGLVTR-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-5-methylhepta-2,4-diene
CID 91556490
(E)-2,3-dimethylbut-2-ene-1,4-diamine
CID 55291095
(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
CID 143146513
(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine
CID 167217123
(Z)-1-aminopent-3-en-2-one
CID 143495154
(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol
CID 129145792
(2E,4Z)-2-(aminomethyl)-3-methoxy-5-(methylamino)hexa-2,4-dienal
CID 144683567
(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 145148215
1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane
CID 143627969
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
1-aminopent-3-en-2-one;tetrahydrofluoride
CID 173491029
methyl 4-amino-2-ethyl-3-methylbut-2-enoate
CID 174518319

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylhexa-2,4-dien-1-amine?
The IUPAC name of 3-methoxy-2-methylhexa-2,4-dien-1-amine (CID 123607717) is 3-methoxy-2-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for 3-methoxy-2-methylhexa-2,4-dien-1-amine?
The canonical SMILES for 3-methoxy-2-methylhexa-2,4-dien-1-amine is CC=CC(OC)=C(C)CN.
What is the InChIKey of 3-methoxy-2-methylhexa-2,4-dien-1-amine?
The InChIKey is CXKZMNAXXGLVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(10-3)7(2)6-9/h4-5H,6,9H2,1-3H3.
What are the key properties of 3-methoxy-2-methylhexa-2,4-dien-1-amine?
3-methoxy-2-methylhexa-2,4-dien-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 123607717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).