(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine

C19H35N — CID 155001490

IUPAC(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(C)(C)N(C)CCC(C)(C)C
InChIInChI=1S/C19H35N/c1-15(2)16(3)11-12-17(4)19(8,9)20(10)14-13-18(5,6)7/h11-12H,4,13-14H2,1-3,5-10H3/b12-11-
InChIKeyZQUJJKZVUPNRIZ-QXMHVHEDSA-N
MW277.50 g/mol
LogP5.60
Rot. Bonds6

About (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine

(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine (PubChem CID 155001490) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine
PubChem CID155001490
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(C)(C)N(C)CCC(C)(C)C
InChIInChI=1S/C19H35N/c1-15(2)16(3)11-12-17(4)19(8,9)20(10)14-13-18(5,6)7/h11-12H,4,13-14H2,1-3,5-10H3/b12-11-
InChIKeyZQUJJKZVUPNRIZ-QXMHVHEDSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine?
The IUPAC name of (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine (CID 155001490) is (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine is C=C(/C=C\C(C)=C(C)C)C(C)(C)N(C)CCC(C)(C)C.
What is the InChIKey of (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine?
The InChIKey is ZQUJJKZVUPNRIZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H35N/c1-15(2)16(3)11-12-17(4)19(8,9)20(10)14-13-18(5,6)7/h11-12H,4,13-14H2,1-3,5-10H3/b12-11-.
What are the key properties of (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine?
(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine has a molecular weight of 277.50 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine is sourced from PubChem (CID 155001490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).