(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine

C20H32N2 — CID 139315495

IUPAC(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine
SMILESC=C/C=C(\C=C(/C=C)C(C)(C)C)C(/C)=N/C(=C\N)C(C)(C)C
InChIInChI=1S/C20H32N2/c1-10-12-16(13-17(11-2)19(4,5)6)15(3)22-18(14-21)20(7,8)9/h10-14H,1-2,21H2,3-9H3/b16-12+,17-13+,18-14-,22-15+
InChIKeyLVQOGRXNBFJNMZ-BVEUUERSSA-N
MW300.49 g/mol
LogP5.56
Rot. Bonds5

About (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine

(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine (PubChem CID 139315495) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine
PubChem CID139315495
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine
SMILESC=C/C=C(\C=C(/C=C)C(C)(C)C)C(/C)=N/C(=C\N)C(C)(C)C
InChIInChI=1S/C20H32N2/c1-10-12-16(13-17(11-2)19(4,5)6)15(3)22-18(14-21)20(7,8)9/h10-14H,1-2,21H2,3-9H3/b16-12+,17-13+,18-14-,22-15+
InChIKeyLVQOGRXNBFJNMZ-BVEUUERSSA-N
XLogP5.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine (CID 139315495) is (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine is C=C/C=C(\C=C(/C=C)C(C)(C)C)C(/C)=N/C(=C\N)C(C)(C)C.
What is the InChIKey of (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine?
The InChIKey is LVQOGRXNBFJNMZ-BVEUUERSSA-N. The full InChI is InChI=1S/C20H32N2/c1-10-12-16(13-17(11-2)19(4,5)6)15(3)22-18(14-21)20(7,8)9/h10-14H,1-2,21H2,3-9H3/b16-12+,17-13+,18-14-,22-15+.
What are the key properties of (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine?
(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine has a molecular weight of 300.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine is sourced from PubChem (CID 139315495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).