(5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C15H31N3 — CID 25102708

IUPAC(5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)CN1C(N(C)C)=NC[C@@H]1CC(C)C
InChIInChI=1S/C15H31N3/c1-7-13(8-2)11-18-14(9-12(3)4)10-16-15(18)17(5)6/h12-14H,7-11H2,1-6H3/t14-/m0/s1
InChIKeyDAJSZQSPUJKYGG-AWEZNQCLSA-N
MW253.43 g/mol
LogP3.07
Rot. Bonds6

About (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

(5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102708) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102708
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)CN1C(N(C)C)=NC[C@@H]1CC(C)C
InChIInChI=1S/C15H31N3/c1-7-13(8-2)11-18-14(9-12(3)4)10-16-15(18)17(5)6/h12-14H,7-11H2,1-6H3/t14-/m0/s1
InChIKeyDAJSZQSPUJKYGG-AWEZNQCLSA-N
XLogP3.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 25102708) is (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CCC(CC)CN1C(N(C)C)=NC[C@@H]1CC(C)C.
What is the InChIKey of (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DAJSZQSPUJKYGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H31N3/c1-7-13(8-2)11-18-14(9-12(3)4)10-16-15(18)17(5)6/h12-14H,7-11H2,1-6H3/t14-/m0/s1.
What are the key properties of (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
(5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-ethylbutyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).