(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine

C10H17N3 — CID 3024564

IUPAC(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine
SMILESCCn1cnc2c1CCC(CN)C2
InChIInChI=1S/C10H17N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13/h7-8H,2-6,11H2,1H3
InChIKeyOEFVPMBICIHIDQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.97
Rot. Bonds2

About (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine

(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine (PubChem CID 3024564) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine
PubChem CID3024564
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine
SMILESCCn1cnc2c1CCC(CN)C2
InChIInChI=1S/C10H17N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13/h7-8H,2-6,11H2,1H3
InChIKeyOEFVPMBICIHIDQ-UHFFFAOYSA-N
XLogP0.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine?
The IUPAC name of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine (CID 3024564) is (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine.
What is the SMILES notation for (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine?
The canonical SMILES for (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine is CCn1cnc2c1CCC(CN)C2.
What is the InChIKey of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine?
The InChIKey is OEFVPMBICIHIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13/h7-8H,2-6,11H2,1H3.
What are the key properties of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine?
(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine is sourced from PubChem (CID 3024564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).