(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine

C17H33N — CID 122692267

IUPAC(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine
SMILESCCCC(C)(C)N(C)C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C17H33N/c1-8-13-17(5,6)18(7)14-12-16(4)11-9-10-15(2)3/h10,12H,8-9,11,13-14H2,1-7H3/b16-12-
InChIKeyYWPOTHQAVSJICF-VBKFSLOCSA-N
MW251.46 g/mol
LogP5.19
Rot. Bonds8

About (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine

(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine (PubChem CID 122692267) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine
PubChem CID122692267
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine
SMILESCCCC(C)(C)N(C)C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C17H33N/c1-8-13-17(5,6)18(7)14-12-16(4)11-9-10-15(2)3/h10,12H,8-9,11,13-14H2,1-7H3/b16-12-
InChIKeyYWPOTHQAVSJICF-VBKFSLOCSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine?
The IUPAC name of (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine (CID 122692267) is (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine?
The canonical SMILES for (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine is CCCC(C)(C)N(C)C/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine?
The InChIKey is YWPOTHQAVSJICF-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H33N/c1-8-13-17(5,6)18(7)14-12-16(4)11-9-10-15(2)3/h10,12H,8-9,11,13-14H2,1-7H3/b16-12-.
What are the key properties of (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine?
(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine is sourced from PubChem (CID 122692267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).