(2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine

C11H21NO — CID 177320206

IUPAC(2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine
SMILESCCC(C)=C(C)/C=C(/CNC)OC
InChIInChI=1S/C11H21NO/c1-6-9(2)10(3)7-11(13-5)8-12-4/h7,12H,6,8H2,1-5H3/b10-9?,11-7-
InChIKeyQEZMUEYCJHKKLX-ICZFORBESA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds5

About (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine

(2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine (PubChem CID 177320206) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine
PubChem CID177320206
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine
SMILESCCC(C)=C(C)/C=C(/CNC)OC
InChIInChI=1S/C11H21NO/c1-6-9(2)10(3)7-11(13-5)8-12-4/h7,12H,6,8H2,1-5H3/b10-9?,11-7-
InChIKeyQEZMUEYCJHKKLX-ICZFORBESA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.48
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

(Z)-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]-2-methoxybut-2-en-1-amine
CID 143135335
4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 54273935
(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 70179765
3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 123395406
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558
2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine
CID 137427644
(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
CID 137427656
2-(3-methylbut-2-en-2-yloxy)-N-propylpent-2-en-1-amine
CID 137538391
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
ethane;(Z)-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]-2-methoxybut-2-en-1-amine
CID 143135334
(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dien-1-amine
CID 144268974
(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine
CID 144630145

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine (CID 177320206) is (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine is CCC(C)=C(C)/C=C(/CNC)OC.
What is the InChIKey of (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine?
The InChIKey is QEZMUEYCJHKKLX-ICZFORBESA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9(2)10(3)7-11(13-5)8-12-4/h7,12H,6,8H2,1-5H3/b10-9?,11-7-.
What are the key properties of (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine?
(2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxy-N,4,5-trimethylhepta-2,4-dien-1-amine is sourced from PubChem (CID 177320206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).