N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine

C13H25N3 — CID 62221809

IUPACN-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCCCCn1ccnc1CNCCC
InChIInChI=1S/C13H25N3/c1-3-5-6-7-10-16-11-9-15-13(16)12-14-8-4-2/h9,11,14H,3-8,10,12H2,1-2H3
InChIKeyAVKMFOHNKNGZNE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.96
Rot. Bonds9

About N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine

N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 62221809) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
PubChem CID62221809
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCCCCn1ccnc1CNCCC
InChIInChI=1S/C13H25N3/c1-3-5-6-7-10-16-11-9-15-13(16)12-14-8-4-2/h9,11,14H,3-8,10,12H2,1-2H3
InChIKeyAVKMFOHNKNGZNE-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.96
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-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1,2-di(pentadecyl)imidazole
CID 69388452
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine (CID 62221809) is N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine is CCCCCCn1ccnc1CNCCC.
What is the InChIKey of N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is AVKMFOHNKNGZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-5-6-7-10-16-11-9-15-13(16)12-14-8-4-2/h9,11,14H,3-8,10,12H2,1-2H3.
What are the key properties of N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine?
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62221809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).