4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine

C12H18N4 — CID 14855677

IUPAC4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1nc2ncccc2[nH]1
InChIInChI=1S/C12H18N4/c1-16(2)9-4-3-7-11-14-10-6-5-8-13-12(10)15-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,13,14,15)
InChIKeyWWNDPUFANYXIOC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.84
Rot. Bonds5

About 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine

4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine (PubChem CID 14855677) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
PubChem CID14855677
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1nc2ncccc2[nH]1
InChIInChI=1S/C12H18N4/c1-16(2)9-4-3-7-11-14-10-6-5-8-13-12(10)15-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,13,14,15)
InChIKeyWWNDPUFANYXIOC-UHFFFAOYSA-N
XLogP1.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
CID 45357286
2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
CID 174495647
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 14319913
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 170856227
2-(4-chlorobutyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79815983
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
CID 14855666
N-ethyl-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-2-amine
CID 62827619
1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium
CID 86059470
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-(2-piperidin-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 62217550
butyl 1H-imidazo[4,5-b]pyridin-2-ylmethanesulfonate
CID 141123790

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine (CID 14855677) is 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine is CN(C)CCCCc1nc2ncccc2[nH]1.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is WWNDPUFANYXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(2)9-4-3-7-11-14-10-6-5-8-13-12(10)15-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine?
4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 14855677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).