ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile

C14H25N5 — CID 144556630

IUPACethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile
SMILESCCN.CCn1ccnc1CN1CCC[C@H](C#N)C1
InChIInChI=1S/C12H18N4.C2H7N/c1-2-16-7-5-14-12(16)10-15-6-3-4-11(8-13)9-15;1-2-3/h5,7,11H,2-4,6,9-10H2,1H3;2-3H2,1H3/t11-;/m1./s1
InChIKeyJQJZUQUHZJBENI-RFVHGSKJSA-N
MW263.39 g/mol
LogP1.60
Rot. Bonds3

About ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile

ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile (PubChem CID 144556630) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Nameethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile
PubChem CID144556630
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Nameethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile
SMILESCCN.CCn1ccnc1CN1CCC[C@H](C#N)C1
InChIInChI=1S/C12H18N4.C2H7N/c1-2-16-7-5-14-12(16)10-15-6-3-4-11(8-13)9-15;1-2-3/h5,7,11H,2-4,6,9-10H2,1H3;2-3H2,1H3/t11-;/m1./s1
InChIKeyJQJZUQUHZJBENI-RFVHGSKJSA-N
XLogP1.60
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile?
The IUPAC name of ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile (CID 144556630) is ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile.
What is the SMILES notation for ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile?
The canonical SMILES for ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile is CCN.CCn1ccnc1CN1CCC[C@H](C#N)C1.
What is the InChIKey of ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile?
The InChIKey is JQJZUQUHZJBENI-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18N4.C2H7N/c1-2-16-7-5-14-12(16)10-15-6-3-4-11(8-13)9-15;1-2-3/h5,7,11H,2-4,6,9-10H2,1H3;2-3H2,1H3/t11-;/m1./s1.
What are the key properties of ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile?
ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile has a molecular weight of 263.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 144556630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).