(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine

C9H19N3 — CID 66874073

IUPAC(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine
SMILESCN1C[C@H]2CC(N)C[C@@H](C1)N2C
InChIInChI=1S/C9H19N3/c1-11-5-8-3-7(10)4-9(6-11)12(8)2/h7-9H,3-6,10H2,1-2H3/t7?,8-,9+
InChIKeySEEZYFXPSSHECA-CBLAIPOGSA-N
MW169.27 g/mol
LogP-0.28
Rot. Bonds

About (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine

(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine (PubChem CID 66874073) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine
PubChem CID66874073
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine
SMILESCN1C[C@H]2CC(N)C[C@@H](C1)N2C
InChIInChI=1S/C9H19N3/c1-11-5-8-3-7(10)4-9(6-11)12(8)2/h7-9H,3-6,10H2,1-2H3/t7?,8-,9+
InChIKeySEEZYFXPSSHECA-CBLAIPOGSA-N
XLogP-0.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine with MolForge

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Related Compounds

(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 174018947
(1R,3R)-6-methyl-6-azabicyclo[3.2.2]nonan-3-amine
CID 129230742
8-[(1-methylpyrrolidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739495
(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine
CID 154939012
4-methyl-1,4-diazatricyclo[4.2.0.02,8]octane
CID 89047572
3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine
CID 79678558
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80561965
ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 166167498
8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 112704244
(1S,5R)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615808

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine (CID 66874073) is (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine is CN1C[C@H]2CC(N)C[C@@H](C1)N2C.
What is the InChIKey of (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine?
The InChIKey is SEEZYFXPSSHECA-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H19N3/c1-11-5-8-3-7(10)4-9(6-11)12(8)2/h7-9H,3-6,10H2,1-2H3/t7?,8-,9+.
What are the key properties of (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine?
(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine has a molecular weight of 169.27 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 66874073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).