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

C19H31N3 — CID 25102676

IUPAC(5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1
InChIInChI=1S/C19H31N3/c1-16(2)14-18-15-20-19(21(3)4)22(18)13-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,8-9,12-15H2,1-4H3/t18-/m0/s1
InChIKeyFUWJLLMBPIVROU-SFHVURJKSA-N
MW301.48 g/mol
LogP3.66
Rot. Bonds7

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

(5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102676) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102676
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1
InChIInChI=1S/C19H31N3/c1-16(2)14-18-15-20-19(21(3)4)22(18)13-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,8-9,12-15H2,1-4H3/t18-/m0/s1
InChIKeyFUWJLLMBPIVROU-SFHVURJKSA-N
XLogP3.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine (CID 25102676) is (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine is CC(C)C[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1.
What is the InChIKey of (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FUWJLLMBPIVROU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3/c1-16(2)14-18-15-20-19(21(3)4)22(18)13-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,8-9,12-15H2,1-4H3/t18-/m0/s1.
What are the key properties of (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 301.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-dimethyl-5-(2-methylpropyl)-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).