N-[3-(methylamino)propyl]-N-phenylformamide

C11H16N2O — CID 71419889

IUPACN-[3-(methylamino)propyl]-N-phenylformamide
SMILESCNCCCN(C=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-12-8-5-9-13(10-14)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyNRPYXTJNTUUDRQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(methylamino)propyl]-N-phenylformamide

N-[3-(methylamino)propyl]-N-phenylformamide (PubChem CID 71419889) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-N-phenylformamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-N-phenylformamide
PubChem CID71419889
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[3-(methylamino)propyl]-N-phenylformamide
SMILESCNCCCN(C=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-12-8-5-9-13(10-14)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyNRPYXTJNTUUDRQ-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-propylformamide
CID 19362602
N-[2-(methylamino)ethyl]-N-naphthalen-2-ylformamide
CID 174419359
N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 62424864
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-butyl-N-phenylmethaneselenoamide
CID 10490195
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664
N-formyl-N-(N-pentylanilino)formamide
CID 174978082
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-phenyl-N-(sulfamoylmethyl)formamide
CID 173195449

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-N-phenylformamide?
The IUPAC name of N-[3-(methylamino)propyl]-N-phenylformamide (CID 71419889) is N-[3-(methylamino)propyl]-N-phenylformamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-N-phenylformamide?
The canonical SMILES for N-[3-(methylamino)propyl]-N-phenylformamide is CNCCCN(C=O)c1ccccc1.
What is the InChIKey of N-[3-(methylamino)propyl]-N-phenylformamide?
The InChIKey is NRPYXTJNTUUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-8-5-9-13(10-14)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3.
What are the key properties of N-[3-(methylamino)propyl]-N-phenylformamide?
N-[3-(methylamino)propyl]-N-phenylformamide has a molecular weight of 192.26 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-N-phenylformamide is sourced from PubChem (CID 71419889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).