5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine

C10H19N3 — CID 11672774

IUPAC5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCc1cnc[nH]1
InChIInChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyMVHBNHUOEFGIBK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.68
Rot. Bonds6

About 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine

5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine (PubChem CID 11672774) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine
PubChem CID11672774
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCc1cnc[nH]1
InChIInChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyMVHBNHUOEFGIBK-UHFFFAOYSA-N
XLogP1.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine?
The IUPAC name of 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine (CID 11672774) is 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine is CN(C)CCCCCc1cnc[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine?
The InChIKey is MVHBNHUOEFGIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine?
5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 11672774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).