5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine

C11H21N3 — CID 11672850

IUPAC5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-10(2)13-7-5-3-4-6-11-8-12-9-14-11/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyZXIIHOHNYIUMNQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.12
Rot. Bonds7

About 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine

5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 11672850) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine
PubChem CID11672850
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-10(2)13-7-5-3-4-6-11-8-12-9-14-11/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyZXIIHOHNYIUMNQ-UHFFFAOYSA-N
XLogP2.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Related Compounds

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
Thioperamide
CID 3035905
Burimamide
CID 3032915
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Cipralisant
CID 6450823
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine (CID 11672850) is 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCc1cnc[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is ZXIIHOHNYIUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)13-7-5-3-4-6-11-8-12-9-14-11/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine?
5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 11672850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).