3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine

C10H17N3 — CID 20515389

IUPAC3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1cnc2c1CCCC2
InChIInChI=1S/C10H17N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7,11H2
InChIKeyAPBFJYRABCTHKX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.11
Rot. Bonds3

About 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine

3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine (PubChem CID 20515389) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine
PubChem CID20515389
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1cnc2c1CCCC2
InChIInChI=1S/C10H17N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7,11H2
InChIKeyAPBFJYRABCTHKX-UHFFFAOYSA-N
XLogP1.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine (CID 20515389) is 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine is NCCCn1cnc2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine?
The InChIKey is APBFJYRABCTHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7,11H2.
What are the key properties of 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine?
3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 20515389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).