11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine

C19H36ClN — CID 54045076

IUPAC11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine
SMILESCCN(CC)CC=C(C)C=CCC(C)CCCC(C)(C)Cl
InChIInChI=1S/C19H36ClN/c1-7-21(8-2)16-14-18(4)12-9-11-17(3)13-10-15-19(5,6)20/h9,12,14,17H,7-8,10-11,13,15-16H2,1-6H3
InChIKeyLOYZAWCJQQUEAB-UHFFFAOYSA-N
MW313.96 g/mol
LogP6.04
Rot. Bonds11

About 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine

11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine (PubChem CID 54045076) has the molecular formula C19H36ClN and a molecular weight of 313.96 g/mol. Its IUPAC name is 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine.

Molecular Properties

Compound Name11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine
PubChem CID54045076
Molecular FormulaC19H36ClN
Molecular Weight313.96 g/mol
Exact Mass313.25
IUPAC Name11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine
SMILESCCN(CC)CC=C(C)C=CCC(C)CCCC(C)(C)Cl
InChIInChI=1S/C19H36ClN/c1-7-21(8-2)16-14-18(4)12-9-11-17(3)13-10-15-19(5,6)20/h9,12,14,17H,7-8,10-11,13,15-16H2,1-6H3
InChIKeyLOYZAWCJQQUEAB-UHFFFAOYSA-N
XLogP6.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.96
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine?
The IUPAC name of 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine (CID 54045076) is 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine.
What is the SMILES notation for 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine?
The canonical SMILES for 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine is CCN(CC)CC=C(C)C=CCC(C)CCCC(C)(C)Cl.
What is the InChIKey of 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine?
The InChIKey is LOYZAWCJQQUEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36ClN/c1-7-21(8-2)16-14-18(4)12-9-11-17(3)13-10-15-19(5,6)20/h9,12,14,17H,7-8,10-11,13,15-16H2,1-6H3.
What are the key properties of 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine?
11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine has a molecular weight of 313.96 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dien-1-amine is sourced from PubChem (CID 54045076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).