(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine

C9H18N2 — CID 174018947

IUPAC(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
SMILESCN1C2CC[C@@H](N)C[C@H]1CC2
InChIInChI=1S/C9H18N2/c1-11-8-3-2-7(10)6-9(11)5-4-8/h7-9H,2-6,10H2,1H3/t7-,8?,9-/m1/s1
InChIKeyKHBXQAAUIBFNKD-PSGOWDBMSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds

About (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine

(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine (PubChem CID 174018947) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine.

Molecular Properties

Compound Name(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
PubChem CID174018947
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
SMILESCN1C2CC[C@@H](N)C[C@H]1CC2
InChIInChI=1S/C9H18N2/c1-11-8-3-2-7(10)6-9(11)5-4-8/h7-9H,2-6,10H2,1H3/t7-,8?,9-/m1/s1
InChIKeyKHBXQAAUIBFNKD-PSGOWDBMSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-Methyl-3,9-diazabicyclo[4.2.1]nonane
CID 13973730
4-(Pyrrolidin-1-yl)azepane
CID 53621929
9-Azabicyclo(4.2.1)nonane
CID 136118
9-Azabicyclo[4.2.1]nonane, 9-methyl-
CID 565946
3-Ethyl-3,9-diazabicyclo[4.2.1]nonane
CID 71755572
4-(1-Methylpyrrolidin-2-yl)butan-1-amine
CID 165625317
(6R)-9-methyl-9-azabicyclo[4.2.1]nonane
CID 154708880
rac-(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 100756823
(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane
CID 637988
9-Propan-2-yl-9-azabicyclo[4.2.1]nonane
CID 12379055
3-Methyl-3,9-diazabicyclo[4.2.1]nonane
CID 19908231
N-methyl-2-(1-methylazepan-2-yl)ethanamine
CID 21617771

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine?
The IUPAC name of (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine (CID 174018947) is (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine.
What is the SMILES notation for (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine?
The canonical SMILES for (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine is CN1C2CC[C@@H](N)C[C@H]1CC2.
What is the InChIKey of (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine?
The InChIKey is KHBXQAAUIBFNKD-PSGOWDBMSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-8-3-2-7(10)6-9(11)5-4-8/h7-9H,2-6,10H2,1H3/t7-,8?,9-/m1/s1.
What are the key properties of (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine?
(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine is sourced from PubChem (CID 174018947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).