3,3-dimethyl-N-(2-propylphenyl)butan-2-imine

C15H23N — CID 174269518

IUPAC3,3-dimethyl-N-(2-propylphenyl)butan-2-imine
SMILESCCCc1ccccc1/N=C(\C)C(C)(C)C
InChIInChI=1S/C15H23N/c1-6-9-13-10-7-8-11-14(13)16-12(2)15(3,4)5/h7-8,10-11H,6,9H2,1-5H3/b16-12+
InChIKeyDLVXIVNZEUWWRF-FOWTUZBSSA-N
MW217.36 g/mol
LogP4.78
Rot. Bonds3

About 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine

3,3-dimethyl-N-(2-propylphenyl)butan-2-imine (PubChem CID 174269518) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-propylphenyl)butan-2-imine
PubChem CID174269518
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,3-dimethyl-N-(2-propylphenyl)butan-2-imine
SMILESCCCc1ccccc1/N=C(\C)C(C)(C)C
InChIInChI=1S/C15H23N/c1-6-9-13-10-7-8-11-14(13)16-12(2)15(3,4)5/h7-8,10-11H,6,9H2,1-5H3/b16-12+
InChIKeyDLVXIVNZEUWWRF-FOWTUZBSSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-propylphenyl)propanimidamide
CID 63177634
N-(2-butylphenyl)butan-2-imine
CID 142019981
N-(2-propylphenyl)methanimine
CID 126659165
N-(2-propylphenyl)ethanimine
CID 67389044
1,1,1-trifluoro-2-(trifluoromethyl)-4-[2-[2-[2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-2-ylidene]amino]phenyl]ethyl]phenyl]iminopentan-2-ol
CID 89293144
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
N'-(2-ethylphenyl)butanimidamide
CID 63178290
2-(2-propylphenyl)acetic acid
CID 46897017
2-N,3-N-bis[2-[(E)-pent-3-enyl]phenyl]heptane-2,3-diimine;nickel
CID 87910947
N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
CID 14930845
4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
CID 121403211
1-(2-bromoethyl)-2-propylbenzene
CID 70218831

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine?
The IUPAC name of 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine (CID 174269518) is 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine.
What is the SMILES notation for 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine?
The canonical SMILES for 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine is CCCc1ccccc1/N=C(\C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine?
The InChIKey is DLVXIVNZEUWWRF-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23N/c1-6-9-13-10-7-8-11-14(13)16-12(2)15(3,4)5/h7-8,10-11H,6,9H2,1-5H3/b16-12+.
What are the key properties of 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine?
3,3-dimethyl-N-(2-propylphenyl)butan-2-imine has a molecular weight of 217.36 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-propylphenyl)butan-2-imine is sourced from PubChem (CID 174269518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).