2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine

C16H23N3 — CID 79351807

IUPAC2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
SMILESCn1c(CNC2C(C)(C)C2(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-15(2)14(16(15,3)4)17-10-13-18-11-8-6-7-9-12(11)19(13)5/h6-9,14,17H,10H2,1-5H3
InChIKeyXSBKTTRARDRLOF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 79351807) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID79351807
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
SMILESCn1c(CNC2C(C)(C)C2(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-15(2)14(16(15,3)4)17-10-13-18-11-8-6-7-9-12(11)19(13)5/h6-9,14,17H,10H2,1-5H3
InChIKeyXSBKTTRARDRLOF-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine
CID 103838563

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine (CID 79351807) is 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine is Cn1c(CNC2C(C)(C)C2(C)C)nc2ccccc21.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is XSBKTTRARDRLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2)14(16(15,3)4)17-10-13-18-11-8-6-7-9-12(11)19(13)5/h6-9,14,17H,10H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79351807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).