N-(2-butan-2-ylphenyl)pentan-2-imine

C15H23N — CID 177056586

IUPACN-(2-butan-2-ylphenyl)pentan-2-imine
SMILESCCC/C(C)=N/c1ccccc1C(C)CC
InChIInChI=1S/C15H23N/c1-5-9-13(4)16-15-11-8-7-10-14(15)12(3)6-2/h7-8,10-12H,5-6,9H2,1-4H3/b16-13+
InChIKeyHYVVZHRPTJTCPX-DTQAZKPQSA-N
MW217.36 g/mol
LogP5.09
Rot. Bonds5

About N-(2-butan-2-ylphenyl)pentan-2-imine

N-(2-butan-2-ylphenyl)pentan-2-imine (PubChem CID 177056586) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)pentan-2-imine.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)pentan-2-imine
PubChem CID177056586
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(2-butan-2-ylphenyl)pentan-2-imine
SMILESCCC/C(C)=N/c1ccccc1C(C)CC
InChIInChI=1S/C15H23N/c1-5-9-13(4)16-15-11-8-7-10-14(15)12(3)6-2/h7-8,10-12H,5-6,9H2,1-4H3/b16-13+
InChIKeyHYVVZHRPTJTCPX-DTQAZKPQSA-N
XLogP5.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500217.36
LogP ≤ 55.09
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

2-butan-2-ylphenol;formaldehyde
CID 66765994
2-(2-butan-2-ylphenyl)-1-methyl-1-(2-phenoxyethyl)guanidine
CID 22675771
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
N'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
CID 59919412
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
2-(1-fluoropropan-2-yl)phenol
CID 19048051
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-[1-(methylamino)propyl]phenol
CID 12862798

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)pentan-2-imine?
The IUPAC name of N-(2-butan-2-ylphenyl)pentan-2-imine (CID 177056586) is N-(2-butan-2-ylphenyl)pentan-2-imine.
What is the SMILES notation for N-(2-butan-2-ylphenyl)pentan-2-imine?
The canonical SMILES for N-(2-butan-2-ylphenyl)pentan-2-imine is CCC/C(C)=N/c1ccccc1C(C)CC.
What is the InChIKey of N-(2-butan-2-ylphenyl)pentan-2-imine?
The InChIKey is HYVVZHRPTJTCPX-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23N/c1-5-9-13(4)16-15-11-8-7-10-14(15)12(3)6-2/h7-8,10-12H,5-6,9H2,1-4H3/b16-13+.
What are the key properties of N-(2-butan-2-ylphenyl)pentan-2-imine?
N-(2-butan-2-ylphenyl)pentan-2-imine has a molecular weight of 217.36 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)pentan-2-imine is sourced from PubChem (CID 177056586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).