N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine

C16H24N2 — CID 102190554

IUPACN-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine
SMILESCCC(C)/N=C/c1cccc(/C=N/C(C)CC)c1
InChIInChI=1S/C16H24N2/c1-5-13(3)17-11-15-8-7-9-16(10-15)12-18-14(4)6-2/h7-14H,5-6H2,1-4H3/b17-11+,18-12+
InChIKeyMRURFUJTVCBCMA-JYFOCSDGSA-N
MW244.38 g/mol
LogP4.12
Rot. Bonds6

About N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine

N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine (PubChem CID 102190554) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine
PubChem CID102190554
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine
SMILESCCC(C)/N=C/c1cccc(/C=N/C(C)CC)c1
InChIInChI=1S/C16H24N2/c1-5-13(3)17-11-15-8-7-9-16(10-15)12-18-14(4)6-2/h7-14H,5-6H2,1-4H3/b17-11+,18-12+
InChIKeyMRURFUJTVCBCMA-JYFOCSDGSA-N
XLogP4.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine?
The IUPAC name of N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine (CID 102190554) is N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine.
What is the SMILES notation for N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine?
The canonical SMILES for N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine is CCC(C)/N=C/c1cccc(/C=N/C(C)CC)c1.
What is the InChIKey of N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine?
The InChIKey is MRURFUJTVCBCMA-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-13(3)17-11-15-8-7-9-16(10-15)12-18-14(4)6-2/h7-14H,5-6H2,1-4H3/b17-11+,18-12+.
What are the key properties of N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine?
N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine has a molecular weight of 244.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine is sourced from PubChem (CID 102190554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).