(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine

C9H18N2 — CID 118346540

IUPAC(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCC[C@H]1[C@H]2C[C@@H](N)[C@H]2CN1C
InChIInChI=1S/C9H18N2/c1-3-9-6-4-8(10)7(6)5-11(9)2/h6-9H,3-5,10H2,1-2H3/t6-,7-,8+,9-/m0/s1
InChIKeyFMDSTQXROSGWDL-MAUMQABQSA-N
MW154.26 g/mol
LogP0.67
Rot. Bonds1

About (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine

(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine (PubChem CID 118346540) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine
PubChem CID118346540
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCC[C@H]1[C@H]2C[C@@H](N)[C@H]2CN1C
InChIInChI=1S/C9H18N2/c1-3-9-6-4-8(10)7(6)5-11(9)2/h6-9H,3-5,10H2,1-2H3/t6-,7-,8+,9-/m0/s1
InChIKeyFMDSTQXROSGWDL-MAUMQABQSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane
CID 174195083
3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane
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[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
2-ethyl-1-azabicyclo[1.1.0]butane
CID 147893042
(1R,5S)-2-ethyl-3-iodo-3-azabicyclo[3.1.0]hexane
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CID 55285034
(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 129230741
2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane
CID 45099849
3,4-diethyl-6,6-dimethylcyclooctan-1-amine
CID 166972980
1,6-dimethylpiperidine-3,4-diamine
CID 82417846
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4-ethyl-2,5-difluoro-1-methylpiperidine
CID 130434383

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine (CID 118346540) is (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine is CC[C@H]1[C@H]2C[C@@H](N)[C@H]2CN1C.
What is the InChIKey of (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine?
The InChIKey is FMDSTQXROSGWDL-MAUMQABQSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9-6-4-8(10)7(6)5-11(9)2/h6-9H,3-5,10H2,1-2H3/t6-,7-,8+,9-/m0/s1.
What are the key properties of (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine?
(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 118346540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).