(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine

C11H19NO — CID 144950725

IUPAC(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CN)OC(C)C
InChIInChI=1S/C11H19NO/c1-5-11(13-9(2)3)7-6-10(4)8-12/h5-7,9H,1,8,12H2,2-4H3/b10-6+,11-7+
InChIKeyONSJRWDIJLATKS-JMQWPVDRSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds5

About (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine

(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine (PubChem CID 144950725) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine
PubChem CID144950725
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CN)OC(C)C
InChIInChI=1S/C11H19NO/c1-5-11(13-9(2)3)7-6-10(4)8-12/h5-7,9H,1,8,12H2,2-4H3/b10-6+,11-7+
InChIKeyONSJRWDIJLATKS-JMQWPVDRSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
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'}

Analyze (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine
CID 89319215
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
3-Methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
CID 129237747
ethane;(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975403
(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975404
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
CID 142018033
(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine
CID 142294662

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine (CID 144950725) is (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine is C=C/C(=C\C=C(/C)CN)OC(C)C.
What is the InChIKey of (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine?
The InChIKey is ONSJRWDIJLATKS-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-11(13-9(2)3)7-6-10(4)8-12/h5-7,9H,1,8,12H2,2-4H3/b10-6+,11-7+.
What are the key properties of (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine?
(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 144950725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).