2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine

C9H19N3 — CID 142002737

IUPAC2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine
SMILESCCCCC(CN)C1=CNCN1
InChIInChI=1S/C9H19N3/c1-2-3-4-8(5-10)9-6-11-7-12-9/h6,8,11-12H,2-5,7,10H2,1H3
InChIKeyIMGRTDMYTRYBHQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.74
Rot. Bonds5

About 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine

2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine (PubChem CID 142002737) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine
PubChem CID142002737
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine
SMILESCCCCC(CN)C1=CNCN1
InChIInChI=1S/C9H19N3/c1-2-3-4-8(5-10)9-6-11-7-12-9/h6,8,11-12H,2-5,7,10H2,1H3
InChIKeyIMGRTDMYTRYBHQ-UHFFFAOYSA-N
XLogP0.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine (CID 142002737) is 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine is CCCCC(CN)C1=CNCN1.
What is the InChIKey of 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine?
The InChIKey is IMGRTDMYTRYBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-3-4-8(5-10)9-6-11-7-12-9/h6,8,11-12H,2-5,7,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine?
2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-imidazol-4-yl)hexan-1-amine is sourced from PubChem (CID 142002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).