N-(2-imidazol-1-ylethyl)heptan-2-amine

C12H23N3 — CID 60688086

IUPACN-(2-imidazol-1-ylethyl)heptan-2-amine
SMILESCCCCCC(C)NCCn1ccnc1
InChIInChI=1S/C12H23N3/c1-3-4-5-6-12(2)14-8-10-15-9-7-13-11-15/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyGRZWHFZFJIVJLR-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.44
Rot. Bonds8

About N-(2-imidazol-1-ylethyl)heptan-2-amine

N-(2-imidazol-1-ylethyl)heptan-2-amine (PubChem CID 60688086) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)heptan-2-amine
PubChem CID60688086
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(2-imidazol-1-ylethyl)heptan-2-amine
SMILESCCCCCC(C)NCCn1ccnc1
InChIInChI=1S/C12H23N3/c1-3-4-5-6-12(2)14-8-10-15-9-7-13-11-15/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyGRZWHFZFJIVJLR-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.44
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-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-(3-imidazol-1-ylpropyl)-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212394
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-nonylimidazole;hydrobromide
CID 175434544
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
1-(2-propylsulfanyldecyl)imidazole
CID 21397909
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)heptan-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)heptan-2-amine (CID 60688086) is N-(2-imidazol-1-ylethyl)heptan-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)heptan-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)heptan-2-amine is CCCCCC(C)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)heptan-2-amine?
The InChIKey is GRZWHFZFJIVJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-4-5-6-12(2)14-8-10-15-9-7-13-11-15/h7,9,11-12,14H,3-6,8,10H2,1-2H3.
What are the key properties of N-(2-imidazol-1-ylethyl)heptan-2-amine?
N-(2-imidazol-1-ylethyl)heptan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)heptan-2-amine is sourced from PubChem (CID 60688086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).