4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine

C20H32N4 — CID 67087675

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c2)C1
InChIInChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15+,17+,18-/m0/s1
InChIKeyFBFNSCZZANKPAN-GRLWTPEZSA-N
MW328.50 g/mol
LogP3.36
Rot. Bonds4

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine (PubChem CID 67087675) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
PubChem CID67087675
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c2)C1
InChIInChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15+,17+,18-/m0/s1
InChIKeyFBFNSCZZANKPAN-GRLWTPEZSA-N
XLogP3.36
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine with MolForge

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]-N-[(1S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 66815761
4-(4-methylpiperazin-1-yl)-N-[(1S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 58227229
4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
CID 76709089
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidin-2-amine
CID 67087373
N-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 67087592
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride
CID 66815760
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547276
N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547719
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75048000
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227290

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine (CID 67087675) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine is CN[C@@H]1CCN(c2ccnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine?
The InChIKey is FBFNSCZZANKPAN-GRLWTPEZSA-N. The full InChI is InChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15+,17+,18-/m0/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine has a molecular weight of 328.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine is sourced from PubChem (CID 67087675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).