1-pentyl-N-propan-2-ylimidazol-2-amine

C11H21N3 — CID 106556908

IUPAC1-pentyl-N-propan-2-ylimidazol-2-amine
SMILESCCCCCn1ccnc1NC(C)C
InChIInChI=1S/C11H21N3/c1-4-5-6-8-14-9-7-12-11(14)13-10(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyLKYJBYUOFKBSSC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.89
Rot. Bonds6

About 1-pentyl-N-propan-2-ylimidazol-2-amine

1-pentyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106556908) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-pentyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-pentyl-N-propan-2-ylimidazol-2-amine
PubChem CID106556908
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-pentyl-N-propan-2-ylimidazol-2-amine
SMILESCCCCCn1ccnc1NC(C)C
InChIInChI=1S/C11H21N3/c1-4-5-6-8-14-9-7-12-11(14)13-10(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyLKYJBYUOFKBSSC-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
CID 106564650
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580522
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
CID 106572756
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-pentyl-N-propan-2-ylimidazol-2-amine (CID 106556908) is 1-pentyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-pentyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-pentyl-N-propan-2-ylimidazol-2-amine is CCCCCn1ccnc1NC(C)C.
What is the InChIKey of 1-pentyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is LKYJBYUOFKBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-8-14-9-7-12-11(14)13-10(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,12,13).
What are the key properties of 1-pentyl-N-propan-2-ylimidazol-2-amine?
1-pentyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106556908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).