N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine

C11H21N3 — CID 11701199

IUPACN,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCCN(CC)CCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-3-14(4-2)8-6-5-7-11-9-12-10-13-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyCSDCGOJSTHVMSW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.07
Rot. Bonds7

About N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine

N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 11701199) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID11701199
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCCN(CC)CCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-3-14(4-2)8-6-5-7-11-9-12-10-13-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyCSDCGOJSTHVMSW-UHFFFAOYSA-N
XLogP2.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.07
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 N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine (CID 11701199) is N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine is CCN(CC)CCCCc1cnc[nH]1.
What is the InChIKey of N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is CSDCGOJSTHVMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-14(4-2)8-6-5-7-11-9-12-10-13-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine?
N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 11701199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).