8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2 — CID 63194011

IUPAC8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)C(c1ccccc1)N1C2CCC1CC(N)C2
InChIInChI=1S/C17H26N2/c1-12(2)17(13-6-4-3-5-7-13)19-15-8-9-16(19)11-14(18)10-15/h3-7,12,14-17H,8-11,18H2,1-2H3
InChIKeyZTHIYEBUSNVNMN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.34
Rot. Bonds3

About 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63194011) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63194011
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)C(c1ccccc1)N1C2CCC1CC(N)C2
InChIInChI=1S/C17H26N2/c1-12(2)17(13-6-4-3-5-7-13)19-15-8-9-16(19)11-14(18)10-15/h3-7,12,14-17H,8-11,18H2,1-2H3
InChIKeyZTHIYEBUSNVNMN-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233082
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 61231577
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylpropanenitrile
CID 55117774
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63011813
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 23381484
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
CID 61234954
5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol
CID 107707603
(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol
CID 67305621
8-[1-(3,4-difluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233291

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63194011) is 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)C(c1ccccc1)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZTHIYEBUSNVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)17(13-6-4-3-5-7-13)19-15-8-9-16(19)11-14(18)10-15/h3-7,12,14-17H,8-11,18H2,1-2H3.
What are the key properties of 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63194011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).