2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine

C13H17N3 — CID 66415076

IUPAC2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
SMILESCC1(C)CC1NCc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3/c1-13(2)6-11(13)15-7-9-8-16-12-10(9)4-3-5-14-12/h3-5,8,11,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyAGNDKUNWQSBUEX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.45
Rot. Bonds3

About 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine

2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine (PubChem CID 66415076) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
PubChem CID66415076
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
SMILESCC1(C)CC1NCc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3/c1-13(2)6-11(13)15-7-9-8-16-12-10(9)4-3-5-14-12/h3-5,8,11,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyAGNDKUNWQSBUEX-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
CID 66413706
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol
CID 66414856
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273
1,1-dioxo-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thian-3-amine
CID 66416465
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine
CID 83007539

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine (CID 66415076) is 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine is CC1(C)CC1NCc1c[nH]c2ncccc12.
What is the InChIKey of 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine?
The InChIKey is AGNDKUNWQSBUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2)6-11(13)15-7-9-8-16-12-10(9)4-3-5-14-12/h3-5,8,11,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine?
2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 66415076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).