(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine

C19H31N — CID 88927977

IUPAC(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine
SMILESC=CCN(C/C=C(/C)CCC=C(C)C)C(=C)C=C(C)C
InChIInChI=1S/C19H31N/c1-8-13-20(19(7)15-17(4)5)14-12-18(6)11-9-10-16(2)3/h8,10,12,15H,1,7,9,11,13-14H2,2-6H3/b18-12-
InChIKeyRPHQQSZKAMTQBH-PDGQHHTCSA-N
MW273.46 g/mol
LogP5.65
Rot. Bonds9

About (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine

(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine (PubChem CID 88927977) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine
PubChem CID88927977
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine
SMILESC=CCN(C/C=C(/C)CCC=C(C)C)C(=C)C=C(C)C
InChIInChI=1S/C19H31N/c1-8-13-20(19(7)15-17(4)5)14-12-18(6)11-9-10-16(2)3/h8,10,12,15H,1,7,9,11,13-14H2,2-6H3/b18-12-
InChIKeyRPHQQSZKAMTQBH-PDGQHHTCSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine?
The IUPAC name of (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine (CID 88927977) is (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine is C=CCN(C/C=C(/C)CCC=C(C)C)C(=C)C=C(C)C.
What is the InChIKey of (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine?
The InChIKey is RPHQQSZKAMTQBH-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H31N/c1-8-13-20(19(7)15-17(4)5)14-12-18(6)11-9-10-16(2)3/h8,10,12,15H,1,7,9,11,13-14H2,2-6H3/b18-12-.
What are the key properties of (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine?
(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine is sourced from PubChem (CID 88927977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).