formamide;1-methyl-3-(2-methylpropyl)benzene

C12H19NO — CID 170631476

IUPACformamide;1-methyl-3-(2-methylpropyl)benzene
SMILESCc1cccc(CC(C)C)c1.NC=O
InChIInChI=1S/C11H16.CH3NO/c1-9(2)7-11-6-4-5-10(3)8-11;2-1-3/h4-6,8-9H,7H2,1-3H3;1H,(H2,2,3)
InChIKeyFIPDNGKWGFZIQA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.30
Rot. Bonds2

About formamide;1-methyl-3-(2-methylpropyl)benzene

formamide;1-methyl-3-(2-methylpropyl)benzene (PubChem CID 170631476) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is formamide;1-methyl-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Nameformamide;1-methyl-3-(2-methylpropyl)benzene
PubChem CID170631476
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameformamide;1-methyl-3-(2-methylpropyl)benzene
SMILESCc1cccc(CC(C)C)c1.NC=O
InChIInChI=1S/C11H16.CH3NO/c1-9(2)7-11-6-4-5-10(3)8-11;2-1-3/h4-6,8-9H,7H2,1-3H3;1H,(H2,2,3)
InChIKeyFIPDNGKWGFZIQA-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-methylphenyl)propanal
CID 82415099
3-methyl-2-[(3-methylphenyl)methyl]butanal
CID 83829594
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(2-isocyanatopropyl)-3-methylbenzene
CID 55268811
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
N-[(2S)-1-(3-methylphenyl)-3-oxobutan-2-yl]formamide
CID 174264624
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620

Frequently Asked Questions

What is the IUPAC name of formamide;1-methyl-3-(2-methylpropyl)benzene?
The IUPAC name of formamide;1-methyl-3-(2-methylpropyl)benzene (CID 170631476) is formamide;1-methyl-3-(2-methylpropyl)benzene.
What is the SMILES notation for formamide;1-methyl-3-(2-methylpropyl)benzene?
The canonical SMILES for formamide;1-methyl-3-(2-methylpropyl)benzene is Cc1cccc(CC(C)C)c1.NC=O.
What is the InChIKey of formamide;1-methyl-3-(2-methylpropyl)benzene?
The InChIKey is FIPDNGKWGFZIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.CH3NO/c1-9(2)7-11-6-4-5-10(3)8-11;2-1-3/h4-6,8-9H,7H2,1-3H3;1H,(H2,2,3).
What are the key properties of formamide;1-methyl-3-(2-methylpropyl)benzene?
formamide;1-methyl-3-(2-methylpropyl)benzene has a molecular weight of 193.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1-methyl-3-(2-methylpropyl)benzene is sourced from PubChem (CID 170631476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).