N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine

C14H30N2O — CID 22167643

IUPACN-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine
SMILESC=C(C)C(=O)NCCCC.CCCNCCC
InChIInChI=1S/C8H15NO.C6H15N/c1-4-5-6-9-8(10)7(2)3;1-3-5-7-6-4-2/h2,4-6H2,1,3H3,(H,9,10);7H,3-6H2,1-2H3
InChIKeySWMKQDXNLFJYMD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.87
Rot. Bonds8

About N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine

N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine (PubChem CID 22167643) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine.

Molecular Properties

Compound NameN-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine
PubChem CID22167643
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine
SMILESC=C(C)C(=O)NCCCC.CCCNCCC
InChIInChI=1S/C8H15NO.C6H15N/c1-4-5-6-9-8(10)7(2)3;1-3-5-7-6-4-2/h2,4-6H2,1,3H3,(H,9,10);7H,3-6H2,1-2H3
InChIKeySWMKQDXNLFJYMD-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine?
The IUPAC name of N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine (CID 22167643) is N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine.
What is the SMILES notation for N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine?
The canonical SMILES for N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine is C=C(C)C(=O)NCCCC.CCCNCCC.
What is the InChIKey of N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine?
The InChIKey is SWMKQDXNLFJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C6H15N/c1-4-5-6-9-8(10)7(2)3;1-3-5-7-6-4-2/h2,4-6H2,1,3H3,(H,9,10);7H,3-6H2,1-2H3.
What are the key properties of N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine?
N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylprop-2-enamide;N-propylpropan-1-amine is sourced from PubChem (CID 22167643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).