[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane

C12H25N3 — CID 143829306

IUPAC[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane
SMILESCC.NCC1CCC(N2C=CNC2)CC1
InChIInChI=1S/C10H19N3.C2H6/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13;1-2/h5-6,9-10,12H,1-4,7-8,11H2;1-2H3
InChIKeyJZQSMBMFOVOIHI-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.86
Rot. Bonds2

About [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane

[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane (PubChem CID 143829306) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane.

Molecular Properties

Compound Name[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane
PubChem CID143829306
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane
SMILESCC.NCC1CCC(N2C=CNC2)CC1
InChIInChI=1S/C10H19N3.C2H6/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13;1-2/h5-6,9-10,12H,1-4,7-8,11H2;1-2H3
InChIKeyJZQSMBMFOVOIHI-UHFFFAOYSA-N
XLogP1.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane?
The IUPAC name of [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane (CID 143829306) is [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane.
What is the SMILES notation for [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane?
The canonical SMILES for [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane is CC.NCC1CCC(N2C=CNC2)CC1.
What is the InChIKey of [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane?
The InChIKey is JZQSMBMFOVOIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.C2H6/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13;1-2/h5-6,9-10,12H,1-4,7-8,11H2;1-2H3.
What are the key properties of [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane?
[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane has a molecular weight of 211.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane is sourced from PubChem (CID 143829306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).