N-tert-butyl-2-phenyloct-7-en-1-amine

C18H29N — CID 81024608

IUPACN-tert-butyl-2-phenyloct-7-en-1-amine
SMILESC=CCCCCC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-5-6-7-9-14-17(15-19-18(2,3)4)16-12-10-8-11-13-16/h5,8,10-13,17,19H,1,6-7,9,14-15H2,2-4H3
InChIKeyZUCZOHQKYXLUES-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.90
Rot. Bonds8

About N-tert-butyl-2-phenyloct-7-en-1-amine

N-tert-butyl-2-phenyloct-7-en-1-amine (PubChem CID 81024608) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-tert-butyl-2-phenyloct-7-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-phenyloct-7-en-1-amine
PubChem CID81024608
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-tert-butyl-2-phenyloct-7-en-1-amine
SMILESC=CCCCCC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-5-6-7-9-14-17(15-19-18(2,3)4)16-12-10-8-11-13-16/h5,8,10-13,17,19H,1,6-7,9,14-15H2,2-4H3
InChIKeyZUCZOHQKYXLUES-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
tetradec-13-en-7-ylbenzene
CID 140694824
2-phenyldec-9-en-1-amine
CID 107010668
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
tridec-12-en-2-ylbenzene
CID 140694820
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
undec-10-en-2-ylbenzene
CID 140694797
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
N-tert-butyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-phenylbutan-1-amine
CID 81028003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-phenyloct-7-en-1-amine?
The IUPAC name of N-tert-butyl-2-phenyloct-7-en-1-amine (CID 81024608) is N-tert-butyl-2-phenyloct-7-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-phenyloct-7-en-1-amine?
The canonical SMILES for N-tert-butyl-2-phenyloct-7-en-1-amine is C=CCCCCC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-phenyloct-7-en-1-amine?
The InChIKey is ZUCZOHQKYXLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-6-7-9-14-17(15-19-18(2,3)4)16-12-10-8-11-13-16/h5,8,10-13,17,19H,1,6-7,9,14-15H2,2-4H3.
What are the key properties of N-tert-butyl-2-phenyloct-7-en-1-amine?
N-tert-butyl-2-phenyloct-7-en-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-phenyloct-7-en-1-amine is sourced from PubChem (CID 81024608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).