N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine

C11H21N3 — CID 11499376

IUPACN-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCC(C)(C)NCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-11(2,3)14-7-5-4-6-10-8-12-9-13-10/h8-9,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyPYTFAGDLBOIDSO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.12
Rot. Bonds5

About N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine

N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 11499376) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID11499376
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCC(C)(C)NCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-11(2,3)14-7-5-4-6-10-8-12-9-13-10/h8-9,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyPYTFAGDLBOIDSO-UHFFFAOYSA-N
XLogP2.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine (CID 11499376) is N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine is CC(C)(C)NCCCCc1cnc[nH]1.
What is the InChIKey of N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is PYTFAGDLBOIDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)14-7-5-4-6-10-8-12-9-13-10/h8-9,14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 11499376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).