5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine

C12H23N3 — CID 114532105

IUPAC5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCc1nccn1C
InChIInChI=1S/C12H23N3/c1-11(2)13-8-6-4-5-7-12-14-9-10-15(12)3/h9-11,13H,4-8H2,1-3H3
InChIKeyYROHXLLKNJXOOQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.13
Rot. Bonds7

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

5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 114532105) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
PubChem CID114532105
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCc1nccn1C
InChIInChI=1S/C12H23N3/c1-11(2)13-8-6-4-5-7-12-14-9-10-15(12)3/h9-11,13H,4-8H2,1-3H3
InChIKeyYROHXLLKNJXOOQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.13
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

N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106017911
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
CID 114531574
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine (CID 114532105) is 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCc1nccn1C.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is YROHXLLKNJXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2)13-8-6-4-5-7-12-14-9-10-15(12)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine?
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114532105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).