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

C16H25N3 — CID 25102695

IUPAC(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1
InChIInChI=1S/C16H25N3/c1-14-13-17-16(18(2)3)19(14)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m0/s1
InChIKeyWEMLTTQFQGMDFL-AWEZNQCLSA-N
MW259.40 g/mol
LogP2.63
Rot. Bonds5

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

(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102695) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102695
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1
InChIInChI=1S/C16H25N3/c1-14-13-17-16(18(2)3)19(14)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m0/s1
InChIKeyWEMLTTQFQGMDFL-AWEZNQCLSA-N
XLogP2.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.63
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,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine (CID 25102695) is (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1.
What is the InChIKey of (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WEMLTTQFQGMDFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-13-17-16(18(2)3)19(14)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).