(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine

C9H18N2 — CID 98086940

IUPAC(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCN1C[C@@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C9H18N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3/t7-,8-/m0/s1
InChIKeyKHQIMHCQMINGFA-YUMQZZPRSA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds

About (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine

(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 98086940) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID98086940
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCN1C[C@@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C9H18N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3/t7-,8-/m0/s1
InChIKeyKHQIMHCQMINGFA-YUMQZZPRSA-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 (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine (CID 98086940) is (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine is CN1C[C@@H]2CCC[C@@H](C1)C2N.
What is the InChIKey of (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is KHQIMHCQMINGFA-YUMQZZPRSA-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/t7-,8-/m0/s1.
What are the key properties of (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine?
(1S,5S)-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 (1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 98086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).