N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine

C16H23N3O — CID 124812447

IUPACN-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
SMILESc1ccc(NC[C@@H]2CO[C@H]3CN(C4CCC4)C[C@@H]23)nc1
InChIInChI=1S/C16H23N3O/c1-2-7-17-16(6-1)18-8-12-11-20-15-10-19(9-14(12)15)13-4-3-5-13/h1-2,6-7,12-15H,3-5,8-11H2,(H,17,18)/t12-,14+,15+/m1/s1
InChIKeyRBRHKOJCNHNFOT-SNPRPXQTSA-N
MW273.38 g/mol
LogP1.99
Rot. Bonds4

About N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine

N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine (PubChem CID 124812447) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
PubChem CID124812447
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
SMILESc1ccc(NC[C@@H]2CO[C@H]3CN(C4CCC4)C[C@@H]23)nc1
InChIInChI=1S/C16H23N3O/c1-2-7-17-16(6-1)18-8-12-11-20-15-10-19(9-14(12)15)13-4-3-5-13/h1-2,6-7,12-15H,3-5,8-11H2,(H,17,18)/t12-,14+,15+/m1/s1
InChIKeyRBRHKOJCNHNFOT-SNPRPXQTSA-N
XLogP1.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

1-[(3R,3aR,6aR)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-ethoxyethanone
CID 124826145
[(3S,3aR,6aR)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylphenyl)methanone
CID 124820934
N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
CID 124912680
[(3S,3aS,6aS)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 124820523
N-[[(3S,3aS,6aS)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
CID 124809808
[(3S,3aR,6aR)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylphenyl)methanone
CID 124822499
N-[[(3S,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 171695275
N-[[(3R,3aS,6aS)-5-(benzenesulfonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 155851245
(3R,3aS,6aS)-5-cyclobutyl-3-[(2-fluorophenoxy)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97483068
[(3S,3aS,6aS)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-cyclobutylmethanone
CID 124794423
[(3S,3aS,6aS)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171694204
[(3S,3aS,6aS)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 133136955

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine (CID 124812447) is N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine is c1ccc(NC[C@@H]2CO[C@H]3CN(C4CCC4)C[C@@H]23)nc1.
What is the InChIKey of N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
The InChIKey is RBRHKOJCNHNFOT-SNPRPXQTSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-7-17-16(6-1)18-8-12-11-20-15-10-19(9-14(12)15)13-4-3-5-13/h1-2,6-7,12-15H,3-5,8-11H2,(H,17,18)/t12-,14+,15+/m1/s1.
What are the key properties of N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aR,6aR)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 124812447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).