8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2 — CID 43131742

IUPAC8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)c1cccc(NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H26N2/c1-12(2)13-5-4-6-14(9-13)18-15-10-16-7-8-17(11-15)19(16)3/h4-6,9,12,15-18H,7-8,10-11H2,1-3H3
InChIKeyPQTGMSATSFTDTJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.85
Rot. Bonds3

About 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131742) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131742
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)c1cccc(NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H26N2/c1-12(2)13-5-4-6-14(9-13)18-15-10-16-7-8-17(11-15)19(16)3/h4-6,9,12,15-18H,7-8,10-11H2,1-3H3
InChIKeyPQTGMSATSFTDTJ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65471399
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
CID 63421494

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 43131742) is 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)c1cccc(NC2CC3CCC(C2)N3C)c1.
What is the InChIKey of 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PQTGMSATSFTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)13-5-4-6-14(9-13)18-15-10-16-7-8-17(11-15)19(16)3/h4-6,9,12,15-18H,7-8,10-11H2,1-3H3.
What are the key properties of 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).