N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine

C28H55N — CID 54537679

IUPACN-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine
SMILESCCCCN(CC=CCC(C)(C)CC(C)(C)C)CC=CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C28H55N/c1-12-13-20-29(21-16-14-18-27(8,9)23-25(2,3)4)22-17-15-19-28(10,11)24-26(5,6)7/h14-17H,12-13,18-24H2,1-11H3
InChIKeyZAYNEGYLQMBZHR-UHFFFAOYSA-N
MW405.76 g/mol
LogP8.91
Rot. Bonds13

About N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine

N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine (PubChem CID 54537679) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine.

Molecular Properties

Compound NameN-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine
PubChem CID54537679
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC NameN-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine
SMILESCCCCN(CC=CCC(C)(C)CC(C)(C)C)CC=CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C28H55N/c1-12-13-20-29(21-16-14-18-27(8,9)23-25(2,3)4)22-17-15-19-28(10,11)24-26(5,6)7/h14-17H,12-13,18-24H2,1-11H3
InChIKeyZAYNEGYLQMBZHR-UHFFFAOYSA-N
XLogP8.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine with MolForge

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Related Compounds

3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
N,N-diethyl-3,7,7,11,11-pentamethyldodec-2-en-1-amine
CID 170848010
dimethyl-bis[(E)-5,5,7,7-tetramethyloct-2-enyl]azanium;trihydroxy(oxo)-lambda5-chlorane
CID 5477295
2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
CID 10947963
(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 11011888
1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 18783337
(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
CID 19839202
Tributyl(6,6-dimethyloct-1-en-3-yl)azanium
CID 19848183
tris(2,2-dimethylpropyl)-[(E)-non-2-enyl]azanium bromide
CID 19848186
(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 44604049
(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine
CID 44604050
1-Di-n-butylamino-5,5,7,7-tetramethyl-2-octene
CID 53838469

Frequently Asked Questions

What is the IUPAC name of N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine?
The IUPAC name of N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine (CID 54537679) is N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine.
What is the SMILES notation for N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine?
The canonical SMILES for N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine is CCCCN(CC=CCC(C)(C)CC(C)(C)C)CC=CCC(C)(C)CC(C)(C)C.
What is the InChIKey of N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine?
The InChIKey is ZAYNEGYLQMBZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N/c1-12-13-20-29(21-16-14-18-27(8,9)23-25(2,3)4)22-17-15-19-28(10,11)24-26(5,6)7/h14-17H,12-13,18-24H2,1-11H3.
What are the key properties of N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine?
N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine has a molecular weight of 405.76 g/mol, XLogP of 8.91, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,5,7,7-tetramethyl-N-(5,5,7,7-tetramethyloct-2-enyl)oct-2-en-1-amine is sourced from PubChem (CID 54537679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).