3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine

C13H21N3 — CID 70988985

IUPAC3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
SMILESCCC(CCNC)C1=NC2CC=CC=C2N1
InChIInChI=1S/C13H21N3/c1-3-10(8-9-14-2)13-15-11-6-4-5-7-12(11)16-13/h4-6,10,12,14H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyNYFKAEHZNHPLNG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.84
Rot. Bonds5

About 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine

3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine (PubChem CID 70988985) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
PubChem CID70988985
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
SMILESCCC(CCNC)C1=NC2CC=CC=C2N1
InChIInChI=1S/C13H21N3/c1-3-10(8-9-14-2)13-15-11-6-4-5-7-12(11)16-13/h4-6,10,12,14H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyNYFKAEHZNHPLNG-UHFFFAOYSA-N
XLogP1.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine (CID 70988985) is 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine is CCC(CCNC)C1=NC2CC=CC=C2N1.
What is the InChIKey of 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine?
The InChIKey is NYFKAEHZNHPLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-10(8-9-14-2)13-15-11-6-4-5-7-12(11)16-13/h4-6,10,12,14H,3,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine?
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 70988985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).