(Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine

C16H23N3 — CID 172589124

IUPAC(Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine
SMILESC/C=N\N=C(/CCC)Cc1cc(C)nc(C2CC2)c1
InChIInChI=1S/C16H23N3/c1-4-6-15(19-17-5-2)10-13-9-12(3)18-16(11-13)14-7-8-14/h5,9,11,14H,4,6-8,10H2,1-3H3/b17-5-,19-15+
InChIKeyMPNWDBOYOHGJBF-AYLBELFPSA-N
MW257.38 g/mol
LogP4.06
Rot. Bonds6

About (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine

(Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine (PubChem CID 172589124) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine.

Molecular Properties

Compound Name(Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine
PubChem CID172589124
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine
SMILESC/C=N\N=C(/CCC)Cc1cc(C)nc(C2CC2)c1
InChIInChI=1S/C16H23N3/c1-4-6-15(19-17-5-2)10-13-9-12(3)18-16(11-13)14-7-8-14/h5,9,11,14H,4,6-8,10H2,1-3H3/b17-5-,19-15+
InChIKeyMPNWDBOYOHGJBF-AYLBELFPSA-N
XLogP4.06
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine?
The IUPAC name of (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine (CID 172589124) is (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine.
What is the SMILES notation for (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine?
The canonical SMILES for (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine is C/C=N\N=C(/CCC)Cc1cc(C)nc(C2CC2)c1.
What is the InChIKey of (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine?
The InChIKey is MPNWDBOYOHGJBF-AYLBELFPSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-6-15(19-17-5-2)10-13-9-12(3)18-16(11-13)14-7-8-14/h5,9,11,14H,4,6-8,10H2,1-3H3/b17-5-,19-15+.
What are the key properties of (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine?
(Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine has a molecular weight of 257.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-cyclopropyl-6-methyl-4-pyridinyl)-N-[(Z)-ethylideneamino]pentan-2-imine is sourced from PubChem (CID 172589124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).