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

C14H27N3 — CID 23640800

IUPAC(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1CC1CCCCC1
InChIInChI=1S/C14H27N3/c1-2-3-9-17-13(11-16-14(17)15)10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H2,15,16)/t13-/m0/s1
InChIKeyXNIQQUARPOZAEM-ZDUSSCGKSA-N
MW237.39 g/mol
LogP2.76
Rot. Bonds5

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

(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640800) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640800
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1CC1CCCCC1
InChIInChI=1S/C14H27N3/c1-2-3-9-17-13(11-16-14(17)15)10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H2,15,16)/t13-/m0/s1
InChIKeyXNIQQUARPOZAEM-ZDUSSCGKSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (CID 23640800) is (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is CCCCN1C(N)=NC[C@@H]1CC1CCCCC1.
What is the InChIKey of (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XNIQQUARPOZAEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-3-9-17-13(11-16-14(17)15)10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H2,15,16)/t13-/m0/s1.
What are the key properties of (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).