5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine

C11H23N3 — CID 79509853

IUPAC5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCC(C)C1CN=C(N)N1CCC
InChIInChI=1S/C11H23N3/c1-4-6-9(3)10-8-13-11(12)14(10)7-5-2/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRTLWSOWBAALPSJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds5

About 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine

5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 79509853) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine
PubChem CID79509853
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCC(C)C1CN=C(N)N1CCC
InChIInChI=1S/C11H23N3/c1-4-6-9(3)10-8-13-11(12)14(10)7-5-2/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRTLWSOWBAALPSJ-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 23640800
(5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 23640805
(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 23640880
(5R)-1,5-dibutyl-4,5-dihydroimidazol-2-amine
CID 23640888
N,N-dimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
CID 24856310
(5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
CID 25102544
1-(cyclopentylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102556
(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
CID 25102561
[(5S)-1-(2-ethylbutyl)-5-isobutyl-2-imidazolin-2-yl]-dimethyl-amine
CID 25102708
(5S)-5-butyl-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 145963370
(5S)-1-(cyclohexylmethyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
CID 25102560
(5S)-1-(cyclopentylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 25102565

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine (CID 79509853) is 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine is CCCC(C)C1CN=C(N)N1CCC.
What is the InChIKey of 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is RTLWSOWBAALPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-6-9(3)10-8-13-11(12)14(10)7-5-2/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine?
5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-1-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).