(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

C19H31N3 — CID 25102542

IUPAC(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H31N3/c1-4-5-6-7-11-14-22-18(16-20-19(22)21(2)3)15-17-12-9-8-10-13-17/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3/t18-/m0/s1
InChIKeyKKKFHDJXPHSSGO-SFHVURJKSA-N
MW301.48 g/mol
LogP3.80
Rot. Bonds8

About (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102542) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102542
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H31N3/c1-4-5-6-7-11-14-22-18(16-20-19(22)21(2)3)15-17-12-9-8-10-13-17/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3/t18-/m0/s1
InChIKeyKKKFHDJXPHSSGO-SFHVURJKSA-N
XLogP3.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.80
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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Related Compounds

2-Imidazoline, 2-benzyl-1-methyl-
CID 47570
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
(5S)-5-[4-[(4S)-4-butyl-3-heptyl-2-iminoimidazolidin-1-yl]butyl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
CID 118735441
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
6,6-Dimethyl-1-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196215
(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102539
(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102546
(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102548
[(5S)-5-isobutyl-1-(4-phenylbutyl)-2-imidazolin-2-yl]-dimethyl-amine
CID 25102676
(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102695

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (CID 25102542) is (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is CCCCCCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KKKFHDJXPHSSGO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3/c1-4-5-6-7-11-14-22-18(16-20-19(22)21(2)3)15-17-12-9-8-10-13-17/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3/t18-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 301.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).