N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline

C28H40N2 — CID 123722168

IUPACN-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline
SMILESCCC=C(C(C)=NC(Nc1ccccc1C(C)C)(c1ccccc1)C(C)C)C(C)C
InChIInChI=1S/C28H40N2/c1-9-15-25(20(2)3)23(8)29-28(22(6)7,24-16-11-10-12-17-24)30-27-19-14-13-18-26(27)21(4)5/h10-22,30H,9H2,1-8H3
InChIKeyIPKXXBFVQKNWDX-UHFFFAOYSA-N
MW404.64 g/mol
LogP8.18
Rot. Bonds9

About N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline

N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline (PubChem CID 123722168) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline
PubChem CID123722168
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC NameN-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline
SMILESCCC=C(C(C)=NC(Nc1ccccc1C(C)C)(c1ccccc1)C(C)C)C(C)C
InChIInChI=1S/C28H40N2/c1-9-15-25(20(2)3)23(8)29-28(22(6)7,24-16-11-10-12-17-24)30-27-19-14-13-18-26(27)21(4)5/h10-22,30H,9H2,1-8H3
InChIKeyIPKXXBFVQKNWDX-UHFFFAOYSA-N
XLogP8.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(2-propan-2-ylanilino)propanoic acid
CID 114988779
N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
CID 170405604
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
N-[4-[2,6-di(propan-2-yl)phenyl]imino-3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pent-2-en-2-yl]-2-propan-2-ylaniline
CID 162409250
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
2-(2-propan-2-ylanilino)ethanol
CID 28574084
2-(2-propan-2-ylanilino)propan-1-ol
CID 70464272
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline?
The IUPAC name of N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline (CID 123722168) is N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline is CCC=C(C(C)=NC(Nc1ccccc1C(C)C)(c1ccccc1)C(C)C)C(C)C.
What is the InChIKey of N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline?
The InChIKey is IPKXXBFVQKNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2/c1-9-15-25(20(2)3)23(8)29-28(22(6)7,24-16-11-10-12-17-24)30-27-19-14-13-18-26(27)21(4)5/h10-22,30H,9H2,1-8H3.
What are the key properties of N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline?
N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline has a molecular weight of 404.64 g/mol, XLogP of 8.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-phenyl-1-(3-propan-2-ylhex-3-en-2-ylideneamino)propyl]-2-propan-2-ylaniline is sourced from PubChem (CID 123722168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).