N-butylprop-2-enamide;N-propylpropan-1-amine

C13H28N2O — CID 19778529

IUPACN-butylprop-2-enamide;N-propylpropan-1-amine
SMILESC=CC(=O)NCCCC.CCCNCCC
InChIInChI=1S/C7H13NO.C6H15N/c1-3-5-6-8-7(9)4-2;1-3-5-7-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9);7H,3-6H2,1-2H3
InChIKeyGOSPOQIROIBXDV-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.48
Rot. Bonds8

About N-butylprop-2-enamide;N-propylpropan-1-amine

N-butylprop-2-enamide;N-propylpropan-1-amine (PubChem CID 19778529) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-butylprop-2-enamide;N-propylpropan-1-amine.

Molecular Properties

Compound NameN-butylprop-2-enamide;N-propylpropan-1-amine
PubChem CID19778529
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-butylprop-2-enamide;N-propylpropan-1-amine
SMILESC=CC(=O)NCCCC.CCCNCCC
InChIInChI=1S/C7H13NO.C6H15N/c1-3-5-6-8-7(9)4-2;1-3-5-7-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9);7H,3-6H2,1-2H3
InChIKeyGOSPOQIROIBXDV-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.48
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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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
1,6-Hexamethylenebisacrylamide
CID 250559
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
2-Propenamide, N-octyl-
CID 82370
N-Dodecylacrylamide
CID 73929
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N,N-`Bisacrylamido-1,3-propan
CID 11636931
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750

Frequently Asked Questions

What is the IUPAC name of N-butylprop-2-enamide;N-propylpropan-1-amine?
The IUPAC name of N-butylprop-2-enamide;N-propylpropan-1-amine (CID 19778529) is N-butylprop-2-enamide;N-propylpropan-1-amine.
What is the SMILES notation for N-butylprop-2-enamide;N-propylpropan-1-amine?
The canonical SMILES for N-butylprop-2-enamide;N-propylpropan-1-amine is C=CC(=O)NCCCC.CCCNCCC.
What is the InChIKey of N-butylprop-2-enamide;N-propylpropan-1-amine?
The InChIKey is GOSPOQIROIBXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H15N/c1-3-5-6-8-7(9)4-2;1-3-5-7-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9);7H,3-6H2,1-2H3.
What are the key properties of N-butylprop-2-enamide;N-propylpropan-1-amine?
N-butylprop-2-enamide;N-propylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylprop-2-enamide;N-propylpropan-1-amine is sourced from PubChem (CID 19778529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).