(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide

C11H18N2 — CID 142083540

IUPAC(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
SMILES[H]/N=C(/C/C(=C/C=C)C(=C)C)N(C)C
InChIInChI=1S/C11H18N2/c1-6-7-10(9(2)3)8-11(12)13(4)5/h6-7,12H,1-2,8H2,3-5H3/b10-7-,12-11-
InChIKeyWUZLRQYIVRXESE-NEFYYVMFSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds4

About (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide

(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide (PubChem CID 142083540) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
PubChem CID142083540
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
SMILES[H]/N=C(/C/C(=C/C=C)C(=C)C)N(C)C
InChIInChI=1S/C11H18N2/c1-6-7-10(9(2)3)8-11(12)13(4)5/h6-7,12H,1-2,8H2,3-5H3/b10-7-,12-11-
InChIKeyWUZLRQYIVRXESE-NEFYYVMFSA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
3-N,3-N-dimethylpropanediimidamide
CID 58160656
1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride
CID 24740417
ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
CID 177153138
ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
CID 166162236
ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 145093627
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
CID 123322065
3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea
CID 154979097
N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
(3E)-3-chloro-2-methylhexa-1,3,5-triene;ethane
CID 143207837

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide?
The IUPAC name of (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide (CID 142083540) is (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide.
What is the SMILES notation for (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide?
The canonical SMILES for (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide is [H]/N=C(/C/C(=C/C=C)C(=C)C)N(C)C.
What is the InChIKey of (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide?
The InChIKey is WUZLRQYIVRXESE-NEFYYVMFSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-7-10(9(2)3)8-11(12)13(4)5/h6-7,12H,1-2,8H2,3-5H3/b10-7-,12-11-.
What are the key properties of (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide?
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide is sourced from PubChem (CID 142083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).