[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine

C14H19N3 — CID 178197607

IUPAC[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine
SMILESCn1cnc2cc([C@H]3[C@H](CN)C3(C)C)ccc21
InChIInChI=1S/C14H19N3/c1-14(2)10(7-15)13(14)9-4-5-12-11(6-9)16-8-17(12)3/h4-6,8,10,13H,7,15H2,1-3H3/t10-,13-/m0/s1
InChIKeyBVXRPFFVTITZTI-GWCFXTLKSA-N
MW229.33 g/mol
LogP2.27
Rot. Bonds2

About [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine

[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine (PubChem CID 178197607) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine
PubChem CID178197607
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine
SMILESCn1cnc2cc([C@H]3[C@H](CN)C3(C)C)ccc21
InChIInChI=1S/C14H19N3/c1-14(2)10(7-15)13(14)9-4-5-12-11(6-9)16-8-17(12)3/h4-6,8,10,13H,7,15H2,1-3H3/t10-,13-/m0/s1
InChIKeyBVXRPFFVTITZTI-GWCFXTLKSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine (CID 178197607) is [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine is Cn1cnc2cc([C@H]3[C@H](CN)C3(C)C)ccc21.
What is the InChIKey of [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine?
The InChIKey is BVXRPFFVTITZTI-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2)10(7-15)13(14)9-4-5-12-11(6-9)16-8-17(12)3/h4-6,8,10,13H,7,15H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine?
[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 178197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).