(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine

C9H16N2 — CID 57001215

IUPAC(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESNC1[C@@H]2CC3C[C@@H]1CN(C3)C2
InChIInChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2/t6?,7-,8-,9?/m1/s1
InChIKeyKBANJTYDXMCGKU-OMRMXDSLSA-N
MW152.24 g/mol
LogP0.29
Rot. Bonds

About (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine

(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine (PubChem CID 57001215) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine.

Molecular Properties

Compound Name(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
PubChem CID57001215
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESNC1[C@@H]2CC3C[C@@H]1CN(C3)C2
InChIInChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2/t6?,7-,8-,9?/m1/s1
InChIKeyKBANJTYDXMCGKU-OMRMXDSLSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 118712523
{2-Methyl-2-azabicyclo[2.2.2]octan-6-yl}methanamine dihydrochloride
CID 121553181
Azoniaadamantane chloride
CID 19350496
1-Azoniatricyclo[3.3.1.13,7]decane
CID 21679413
9-Piperidino-3-azabicyclo[3.3.1]nonane
CID 129755779
Azoniaadamantane bromide
CID 129813978
Azoniaadamantane iodide
CID 129814116
(1S,2S,7R,8S)-3,9-diazatricyclo[6.2.2.02,7]dodecane
CID 101934707
(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 11073616
4,8,8-Trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 12462314
2-Methyl-2-azabicyclo[2.2.2]octan-5-amine
CID 14788283
1-Azatricyclo[3.3.1.1^{3,7}]decan-4-amine
CID 15686618

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The IUPAC name of (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine (CID 57001215) is (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine.
What is the SMILES notation for (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The canonical SMILES for (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine is NC1[C@@H]2CC3C[C@@H]1CN(C3)C2.
What is the InChIKey of (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The InChIKey is KBANJTYDXMCGKU-OMRMXDSLSA-N. The full InChI is InChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2/t6?,7-,8-,9?/m1/s1.
What are the key properties of (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine has a molecular weight of 152.24 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine is sourced from PubChem (CID 57001215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).