3-methyl-3-azabicyclo[3.3.1]nonan-9-amine

C9H18N2 — CID 47003637

IUPAC3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCN1CC2CCCC(C1)C2N
InChIInChI=1S/C9H18N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3
InChIKeyKHQIMHCQMINGFA-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds

About 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine

3-methyl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 47003637) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID47003637
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCN1CC2CCCC(C1)C2N
InChIInChI=1S/C9H18N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3
InChIKeyKHQIMHCQMINGFA-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120
3,7-Diazabicyclo(3.3.1)nonane, 3,7-dimethyl-2-isopropyl-, dihydrochloride
CID 47334
3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide
CID 59647
3-Azabicyclo(3.3.1)nonane, 3-methyl-, hydrobromide
CID 59649
1-(4-Methylcyclohexyl)piperidin-4-amine
CID 24699417
3-Azabicyclo[3.3.1]nonan-9-amine
CID 18414513
3-Azoniabicyclo[3.3.1]non-9-ylammonium di-chloride
CID 129744268
9-Azido-3-azabicyclo[3.3.1]nonane
CID 129745006
9-(Pyrrolidin-1-yl)-3-azabicyclo[3.3.1]nonane dihydrochloride
CID 129755468

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine (CID 47003637) is 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine is CN1CC2CCCC(C1)C2N.
What is the InChIKey of 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is KHQIMHCQMINGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
3-methyl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 154.26 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 47003637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).