N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine

C18H37N — CID 91082363

IUPACN-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine
SMILESC=CCC(C)(C)CC(CC(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C18H37N/c1-11-12-18(8,9)14-15(13-16(2,3)4)19(10)17(5,6)7/h11,15H,1,12-14H2,2-10H3
InChIKeyJSCJYPBUTQPUAU-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.51
Rot. Bonds6

About N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine

N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine (PubChem CID 91082363) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine.

Molecular Properties

Compound NameN-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine
PubChem CID91082363
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine
SMILESC=CCC(C)(C)CC(CC(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C18H37N/c1-11-12-18(8,9)14-15(13-16(2,3)4)19(10)17(5,6)7/h11,15H,1,12-14H2,2-10H3
InChIKeyJSCJYPBUTQPUAU-UHFFFAOYSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.51
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 N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine?
The IUPAC name of N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine (CID 91082363) is N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine.
What is the SMILES notation for N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine?
The canonical SMILES for N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine is C=CCC(C)(C)CC(CC(C)(C)C)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine?
The InChIKey is JSCJYPBUTQPUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-11-12-18(8,9)14-15(13-16(2,3)4)19(10)17(5,6)7/h11,15H,1,12-14H2,2-10H3.
What are the key properties of N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine?
N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine has a molecular weight of 267.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,2,6,6-pentamethylnon-8-en-4-amine is sourced from PubChem (CID 91082363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).