(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine

C8H13NO — CID 144610850

IUPAC(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/OC)C(=C)C
InChIInChI=1S/C8H13NO/c1-5-7(9)8(10-4)6(2)3/h5H,1-2,9H2,3-4H3/b8-7-
InChIKeyLETMVDKLXRGTMG-FPLPWBNLSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds3

About (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine

(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine (PubChem CID 144610850) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
PubChem CID144610850
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/OC)C(=C)C
InChIInChI=1S/C8H13NO/c1-5-7(9)8(10-4)6(2)3/h5H,1-2,9H2,3-4H3/b8-7-
InChIKeyLETMVDKLXRGTMG-FPLPWBNLSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.57
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

(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile
CID 166130684
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
(3Z)-4-bromo-3-methoxyhexa-1,3,5-trien-2-amine
CID 166130604
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
CID 15914369
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
CID 176972059
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027
2-chlorobuta-1,3-diene;methyl 2-methylprop-2-enoate
CID 86748634

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine (CID 144610850) is (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine is C=C/C(N)=C(/OC)C(=C)C.
What is the InChIKey of (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
The InChIKey is LETMVDKLXRGTMG-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7(9)8(10-4)6(2)3/h5H,1-2,9H2,3-4H3/b8-7-.
What are the key properties of (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).