(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine

C9H15NO — CID 166783271

IUPAC(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine
SMILESC=C(N)/C(=C\CC)OC1CC1
InChIInChI=1S/C9H15NO/c1-3-4-9(7(2)10)11-8-5-6-8/h4,8H,2-3,5-6,10H2,1H3/b9-4+
InChIKeyCZVFMVPKMRLNAK-RUDMXATFSA-N
MW153.22 g/mol
LogP1.93
Rot. Bonds4

About (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine

(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine (PubChem CID 166783271) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine
PubChem CID166783271
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine
SMILESC=C(N)/C(=C\CC)OC1CC1
InChIInChI=1S/C9H15NO/c1-3-4-9(7(2)10)11-8-5-6-8/h4,8H,2-3,5-6,10H2,1H3/b9-4+
InChIKeyCZVFMVPKMRLNAK-RUDMXATFSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.93
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

N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
CID 166783337
(Z)-2-ethoxypent-2-enamide
CID 87204332
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane
CID 177243554
1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine
CID 174036469
(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
CID 89415069
(Z)-5-methylidenehept-3-en-4-amine
CID 162685549
cyclopropyl N'-methylcarbamimidate
CID 144698838
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
CID 70467562
(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane
CID 146668622

Frequently Asked Questions

What is the IUPAC name of (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine (CID 166783271) is (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine is C=C(N)/C(=C\CC)OC1CC1.
What is the InChIKey of (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine?
The InChIKey is CZVFMVPKMRLNAK-RUDMXATFSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-9(7(2)10)11-8-5-6-8/h4,8H,2-3,5-6,10H2,1H3/b9-4+.
What are the key properties of (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine?
(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine is sourced from PubChem (CID 166783271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).