N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C13H26N2 — CID 65471043

IUPACN-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(C)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C13H26N2/c1-4-10(2)14-11-8-12-6-5-7-13(9-11)15(12)3/h10-14H,4-9H2,1-3H3
InChIKeyGORYAUHYKYPJNK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds3

About N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471043) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471043
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(C)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C13H26N2/c1-4-10(2)14-11-8-12-6-5-7-13(9-11)15(12)3/h10-14H,4-9H2,1-3H3
InChIKeyGORYAUHYKYPJNK-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine
CID 165477844
N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471067
N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472160
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
CID 65472979
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471043) is N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCC(C)NC1CC2CCCC(C1)N2C.
What is the InChIKey of N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is GORYAUHYKYPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-10(2)14-11-8-12-6-5-7-13(9-11)15(12)3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).