N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine

C11H15N3 — CID 89260737

IUPACN-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESC1=c2cc[nH]c2=NC(NCC2CC2)C1
InChIInChI=1S/C11H15N3/c1-2-8(1)7-13-10-4-3-9-5-6-12-11(9)14-10/h3,5-6,8,10,13H,1-2,4,7H2,(H,12,14)
InChIKeyHQRDFXSHXVRVFR-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.14
Rot. Bonds3

About N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 89260737) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID89260737
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESC1=c2cc[nH]c2=NC(NCC2CC2)C1
InChIInChI=1S/C11H15N3/c1-2-8(1)7-13-10-4-3-9-5-6-12-11(9)14-10/h3,5-6,8,10,13H,1-2,4,7H2,(H,12,14)
InChIKeyHQRDFXSHXVRVFR-UHFFFAOYSA-N
XLogP0.14
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 89260737) is N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine is C1=c2cc[nH]c2=NC(NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is HQRDFXSHXVRVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-8(1)7-13-10-4-3-9-5-6-12-11(9)14-10/h3,5-6,8,10,13H,1-2,4,7H2,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 189.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 89260737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).