3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine

C7H15N3 — CID 59585468

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=NCCN1
InChIInChI=1S/C7H15N3/c1-8-4-2-3-7-9-5-6-10-7/h8H,2-6H2,1H3,(H,9,10)
InChIKeyANMNBVDKEOFQGH-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.01
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine

3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 59585468) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine
PubChem CID59585468
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=NCCN1
InChIInChI=1S/C7H15N3/c1-8-4-2-3-7-9-5-6-10-7/h8H,2-6H2,1H3,(H,9,10)
InChIKeyANMNBVDKEOFQGH-UHFFFAOYSA-N
XLogP-0.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine (CID 59585468) is 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine is CNCCCC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is ANMNBVDKEOFQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-8-4-2-3-7-9-5-6-10-7/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine?
3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 141.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 59585468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).