N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine

C18H26N4O — CID 70749991

IUPACN-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NCCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C18H26N4O/c1-14-5-4-7-19-16(14)20-8-10-22-11-9-21-17(22)15-6-12-23-18(2,3)13-15/h4-5,7,9,11,15H,6,8,10,12-13H2,1-3H3,(H,19,20)
InChIKeySKKSJPOQPLSBRH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.37
Rot. Bonds5

About N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine

N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine (PubChem CID 70749991) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine
PubChem CID70749991
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NCCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C18H26N4O/c1-14-5-4-7-19-16(14)20-8-10-22-11-9-21-17(22)15-6-12-23-18(2,3)13-15/h4-5,7,9,11,15H,6,8,10,12-13H2,1-3H3,(H,19,20)
InChIKeySKKSJPOQPLSBRH-UHFFFAOYSA-N
XLogP3.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
CID 95724185
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 56871065
1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
CID 56870394
1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
CID 56865838
2-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-6-fluoro-1H-benzimidazole
CID 95862792
N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 126452994
N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide
CID 96578399
2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
CID 56918232
3-methyl-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 106325916
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine (CID 70749991) is N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine is Cc1cccnc1NCCn1ccnc1C1CCOC(C)(C)C1.
What is the InChIKey of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine?
The InChIKey is SKKSJPOQPLSBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-5-4-7-19-16(14)20-8-10-22-11-9-21-17(22)15-6-12-23-18(2,3)13-15/h4-5,7,9,11,15H,6,8,10,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine?
N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine has a molecular weight of 314.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 70749991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).