N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C15H29N3 — CID 106568866

IUPACN-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCCCCCC(C)Nc1nc(C)cn1CC(C)C
InChIInChI=1S/C15H29N3/c1-6-7-8-9-13(4)16-15-17-14(5)11-18(15)10-12(2)3/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyXUJKYSAHYQHCHH-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.23
Rot. Bonds8

About N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine

N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106568866) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106568866
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCCCCCC(C)Nc1nc(C)cn1CC(C)C
InChIInChI=1S/C15H29N3/c1-6-7-8-9-13(4)16-15-17-14(5)11-18(15)10-12(2)3/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyXUJKYSAHYQHCHH-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.23
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

4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
CID 106564935
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
4-methyl-1-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569158
4-methyl-1-(2-methylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106570359
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106568882
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
CID 106574492
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106568866) is N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine is CCCCCC(C)Nc1nc(C)cn1CC(C)C.
What is the InChIKey of N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is XUJKYSAHYQHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-7-8-9-13(4)16-15-17-14(5)11-18(15)10-12(2)3/h11-13H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 251.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106568866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).