N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine

C11H23N3 — CID 59021808

IUPACN-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1N(C)CCC(C)(C)C
InChIInChI=1S/C11H23N3/c1-11(2,3)6-8-13(4)10-12-7-9-14(10)5/h6-9H2,1-5H3
InChIKeyKXXYDEOKXDCDAC-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.66
Rot. Bonds2

About N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine

N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 59021808) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID59021808
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1N(C)CCC(C)(C)C
InChIInChI=1S/C11H23N3/c1-11(2,3)6-8-13(4)10-12-7-9-14(10)5/h6-9H2,1-5H3
InChIKeyKXXYDEOKXDCDAC-UHFFFAOYSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine (CID 59021808) is N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1N(C)CCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KXXYDEOKXDCDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,3)6-8-13(4)10-12-7-9-14(10)5/h6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine?
N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 59021808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).