N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid

C15H23NO2 — CID 173041614

IUPACN,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
SMILESC=C(CCC)C(=O)O.CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.C6H10O2/c1-10(2)8-9-6-4-3-5-7-9;1-3-4-5(2)6(7)8/h3-7H,8H2,1-2H3;2-4H2,1H3,(H,7,8)
InChIKeyNRFARTRJYVCHNF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.18
Rot. Bonds5

About N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid

N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid (PubChem CID 173041614) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
PubChem CID173041614
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
SMILESC=C(CCC)C(=O)O.CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.C6H10O2/c1-10(2)8-9-6-4-3-5-7-9;1-3-4-5(2)6(7)8/h3-7H,8H2,1-2H3;2-4H2,1H3,(H,7,8)
InChIKeyNRFARTRJYVCHNF-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid 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

carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride
CID 174468605
bis([4-[(dimethylamino)methyl]phenyl]-phenylmethanone);2-methylidenebutanoic acid;hydrochloride
CID 173014587
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
2-methylidenepentanoic acid;hydrate
CID 88770361
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
4-(dimethylamino)-2-methylidenebutanoic acid;phenylmethanamine;hydrochloride
CID 175003211
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid (CID 173041614) is N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid is C=C(CCC)C(=O)O.CN(C)Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid?
The InChIKey is NRFARTRJYVCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H10O2/c1-10(2)8-9-6-4-3-5-7-9;1-3-4-5(2)6(7)8/h3-7H,8H2,1-2H3;2-4H2,1H3,(H,7,8).
What are the key properties of N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid?
N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid is sourced from PubChem (CID 173041614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).