5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine

C21H41N — CID 123564735

IUPAC5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine
SMILESCCCC(C)(C)CC(CC)C(C)C(=CCC=CN(C)C)CC
InChIInChI=1S/C21H41N/c1-9-15-21(5,6)17-20(11-3)18(4)19(10-2)14-12-13-16-22(7)8/h13-14,16,18,20H,9-12,15,17H2,1-8H3
InChIKeySASBCUFIXNSHCQ-UHFFFAOYSA-N
MW307.57 g/mol
LogP6.67
Rot. Bonds11

About 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine

5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine (PubChem CID 123564735) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine.

Molecular Properties

Compound Name5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine
PubChem CID123564735
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine
SMILESCCCC(C)(C)CC(CC)C(C)C(=CCC=CN(C)C)CC
InChIInChI=1S/C21H41N/c1-9-15-21(5,6)17-20(11-3)18(4)19(10-2)14-12-13-16-22(7)8/h13-14,16,18,20H,9-12,15,17H2,1-8H3
InChIKeySASBCUFIXNSHCQ-UHFFFAOYSA-N
XLogP6.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine?
The IUPAC name of 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine (CID 123564735) is 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine.
What is the SMILES notation for 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine?
The canonical SMILES for 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine is CCCC(C)(C)CC(CC)C(C)C(=CCC=CN(C)C)CC.
What is the InChIKey of 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine?
The InChIKey is SASBCUFIXNSHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-9-15-21(5,6)17-20(11-3)18(4)19(10-2)14-12-13-16-22(7)8/h13-14,16,18,20H,9-12,15,17H2,1-8H3.
What are the key properties of 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine?
5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine has a molecular weight of 307.57 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine is sourced from PubChem (CID 123564735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).