(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

C14H27N3 — CID 23640799

IUPAC(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CC1CCCCC1
InChIInChI=1S/C14H27N3/c1-3-11(2)13-9-16-14(15)17(13)10-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)/t11?,13-/m1/s1
InChIKeyQFMIRORLTBGYDS-GLGOKHISSA-N
MW237.39 g/mol
LogP2.61
Rot. Bonds4

About (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640799) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640799
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CC1CCCCC1
InChIInChI=1S/C14H27N3/c1-3-11(2)13-9-16-14(15)17(13)10-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)/t11?,13-/m1/s1
InChIKeyQFMIRORLTBGYDS-GLGOKHISSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (CID 23640799) is (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is CCC(C)[C@H]1CN=C(N)N1CC1CCCCC1.
What is the InChIKey of (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is QFMIRORLTBGYDS-GLGOKHISSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-11(2)13-9-16-14(15)17(13)10-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)/t11?,13-/m1/s1.
What are the key properties of (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).