N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine

C14H19N3 — CID 61387648

IUPACN-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
SMILESCc1cc2ncn(CCNC3CC3)c2cc1C
InChIInChI=1S/C14H19N3/c1-10-7-13-14(8-11(10)2)17(9-16-13)6-5-15-12-3-4-12/h7-9,12,15H,3-6H2,1-2H3
InChIKeyTXWOFSSXOLVFCJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine

N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine (PubChem CID 61387648) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
PubChem CID61387648
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
SMILESCc1cc2ncn(CCNC3CC3)c2cc1C
InChIInChI=1S/C14H19N3/c1-10-7-13-14(8-11(10)2)17(9-16-13)6-5-15-12-3-4-12/h7-9,12,15H,3-6H2,1-2H3
InChIKeyTXWOFSSXOLVFCJ-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine (CID 61387648) is N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine is Cc1cc2ncn(CCNC3CC3)c2cc1C.
What is the InChIKey of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine?
The InChIKey is TXWOFSSXOLVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-7-13-14(8-11(10)2)17(9-16-13)6-5-15-12-3-4-12/h7-9,12,15H,3-6H2,1-2H3.
What are the key properties of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine?
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine has a molecular weight of 229.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 61387648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).