N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine

C15H25N3 — CID 175248469

IUPACN-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine
SMILESCC(C)/N=C/CC1C=CC=CN1C/C=N/C(C)C
InChIInChI=1S/C15H25N3/c1-13(2)16-9-8-15-7-5-6-11-18(15)12-10-17-14(3)4/h5-7,9-11,13-15H,8,12H2,1-4H3/b16-9+,17-10+
InChIKeyNOXRSBPYYHPKNR-CZCYGEDCSA-N
MW247.39 g/mol
LogP3.09
Rot. Bonds6

About N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine

N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine (PubChem CID 175248469) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine
PubChem CID175248469
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine
SMILESCC(C)/N=C/CC1C=CC=CN1C/C=N/C(C)C
InChIInChI=1S/C15H25N3/c1-13(2)16-9-8-15-7-5-6-11-18(15)12-10-17-14(3)4/h5-7,9-11,13-15H,8,12H2,1-4H3/b16-9+,17-10+
InChIKeyNOXRSBPYYHPKNR-CZCYGEDCSA-N
XLogP3.09
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine?
The IUPAC name of N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine (CID 175248469) is N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine.
What is the SMILES notation for N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine?
The canonical SMILES for N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine is CC(C)/N=C/CC1C=CC=CN1C/C=N/C(C)C.
What is the InChIKey of N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine?
The InChIKey is NOXRSBPYYHPKNR-CZCYGEDCSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)16-9-8-15-7-5-6-11-18(15)12-10-17-14(3)4/h5-7,9-11,13-15H,8,12H2,1-4H3/b16-9+,17-10+.
What are the key properties of N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine?
N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine has a molecular weight of 247.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine is sourced from PubChem (CID 175248469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).