N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

C15H24N4 — CID 66412006

IUPACN-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(C)C)c2ncccc12
InChIInChI=1S/C15H24N4/c1-4-7-16-11-13-12-19(10-9-18(2)3)15-14(13)6-5-8-17-15/h5-6,8,12,16H,4,7,9-11H2,1-3H3
InChIKeyDYPRDJIJVYLRRR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds7

About N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine (PubChem CID 66412006) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
PubChem CID66412006
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(C)C)c2ncccc12
InChIInChI=1S/C15H24N4/c1-4-7-16-11-13-12-19(10-9-18(2)3)15-14(13)6-5-8-17-15/h5-6,8,12,16H,4,7,9-11H2,1-3H3
InChIKeyDYPRDJIJVYLRRR-UHFFFAOYSA-N
XLogP2.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine (CID 66412006) is N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine is CCCNCc1cn(CCN(C)C)c2ncccc12.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The InChIKey is DYPRDJIJVYLRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-7-16-11-13-12-19(10-9-18(2)3)15-14(13)6-5-8-17-15/h5-6,8,12,16H,4,7,9-11H2,1-3H3.
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66412006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).