N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine

C14H23N3 — CID 66151948

IUPACN-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C(C1CC1)C1CC1
InChIInChI=1S/C14H23N3/c1-2-7-15-8-13-9-16-10-17(13)14(11-3-4-11)12-5-6-12/h9-12,14-15H,2-8H2,1H3
InChIKeyGOZPJYJPSPERMY-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.74
Rot. Bonds7

About N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine

N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66151948) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66151948
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C(C1CC1)C1CC1
InChIInChI=1S/C14H23N3/c1-2-7-15-8-13-9-16-10-17(13)14(11-3-4-11)12-5-6-12/h9-12,14-15H,2-8H2,1H3
InChIKeyGOZPJYJPSPERMY-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.74
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-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
N-[[3-[1-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114286408
N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66149126
N-[[3-(1-ethoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114115032
N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 66147546
N-[[1-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204180
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
N-[[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147330
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine (CID 66151948) is N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1C(C1CC1)C1CC1.
What is the InChIKey of N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GOZPJYJPSPERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-7-15-8-13-9-16-10-17(13)14(11-3-4-11)12-5-6-12/h9-12,14-15H,2-8H2,1H3.
What are the key properties of N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine?
N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66151948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).