N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H32N2 — CID 83147536

IUPACN-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC(C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-12(16(2,3)4)11-18-14-7-6-8-15(18)10-13(9-14)17-5/h12-15,17H,6-11H2,1-5H3
InChIKeyAZLVJOXBRBDAFZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 83147536) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID83147536
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC(C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-12(16(2,3)4)11-18-14-7-6-8-15(18)10-13(9-14)17-5/h12-15,17H,6-11H2,1-5H3
InChIKeyAZLVJOXBRBDAFZ-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 102908223
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63957635
1-methyl-3-[(1R,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461149
N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 113328114
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713645
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62713631
N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712025
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 83147536) is N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CC(C)C(C)(C)C.
What is the InChIKey of N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is AZLVJOXBRBDAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(16(2,3)4)11-18-14-7-6-8-15(18)10-13(9-14)17-5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2,3,3-trimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 83147536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).