[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine

C11H13N — CID 96542205

IUPAC[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
SMILESNC[C@@H]1[C@H]2Cc3ccccc3[C@@H]12
InChIInChI=1S/C11H13N/c12-6-10-9-5-7-3-1-2-4-8(7)11(9)10/h1-4,9-11H,5-6,12H2/t9-,10-,11-/m1/s1
InChIKeyPZEXUADMOKPQOB-GMTAPVOTSA-N
MW159.23 g/mol
LogP1.53
Rot. Bonds1

About [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine

[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine (PubChem CID 96542205) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
PubChem CID96542205
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
SMILESNC[C@@H]1[C@H]2Cc3ccccc3[C@@H]12
InChIInChI=1S/C11H13N/c12-6-10-9-5-7-3-1-2-4-8(7)11(9)10/h1-4,9-11H,5-6,12H2/t9-,10-,11-/m1/s1
InChIKeyPZEXUADMOKPQOB-GMTAPVOTSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine
CID 125132573
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
CID 133375697
1-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 98233743
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-methylsulfonylaniline
CID 133375641
(2-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 66961474
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133375690
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383705
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383706
4-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)morpholine-2,4-dicarboxamide
CID 136516118
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine
CID 106575971

Frequently Asked Questions

What is the IUPAC name of [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine?
The IUPAC name of [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine (CID 96542205) is [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine.
What is the SMILES notation for [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine?
The canonical SMILES for [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine is NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]12.
What is the InChIKey of [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine?
The InChIKey is PZEXUADMOKPQOB-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H13N/c12-6-10-9-5-7-3-1-2-4-8(7)11(9)10/h1-4,9-11H,5-6,12H2/t9-,10-,11-/m1/s1.
What are the key properties of [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine?
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine has a molecular weight of 159.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine is sourced from PubChem (CID 96542205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).