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

C12H26N2O — CID 19756679

IUPACN-propylpropan-1-amine;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.CCCNCCC
InChIInChI=1S/C6H11NO.C6H15N/c1-3-5-7-6(8)4-2;1-3-5-7-6-4-2/h4H,2-3,5H2,1H3,(H,7,8);7H,3-6H2,1-2H3
InChIKeyKTJDDMYBTPWRRX-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.09
Rot. Bonds7

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

N-propylpropan-1-amine;N-propylprop-2-enamide (PubChem CID 19756679) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-propylpropan-1-amine;N-propylprop-2-enamide.

Molecular Properties

Compound NameN-propylpropan-1-amine;N-propylprop-2-enamide
PubChem CID19756679
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-propylpropan-1-amine;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.CCCNCCC
InChIInChI=1S/C6H11NO.C6H15N/c1-3-5-7-6(8)4-2;1-3-5-7-6-4-2/h4H,2-3,5H2,1H3,(H,7,8);7H,3-6H2,1-2H3
InChIKeyKTJDDMYBTPWRRX-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.09
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

N-Isopropylacrylamide
CID 16637
(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
Allylacrylamide
CID 95149
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

Frequently Asked Questions

What is the IUPAC name of N-propylpropan-1-amine;N-propylprop-2-enamide?
The IUPAC name of N-propylpropan-1-amine;N-propylprop-2-enamide (CID 19756679) is N-propylpropan-1-amine;N-propylprop-2-enamide.
What is the SMILES notation for N-propylpropan-1-amine;N-propylprop-2-enamide?
The canonical SMILES for N-propylpropan-1-amine;N-propylprop-2-enamide is C=CC(=O)NCCC.CCCNCCC.
What is the InChIKey of N-propylpropan-1-amine;N-propylprop-2-enamide?
The InChIKey is KTJDDMYBTPWRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H15N/c1-3-5-7-6(8)4-2;1-3-5-7-6-4-2/h4H,2-3,5H2,1H3,(H,7,8);7H,3-6H2,1-2H3.
What are the key properties of N-propylpropan-1-amine;N-propylprop-2-enamide?
N-propylpropan-1-amine;N-propylprop-2-enamide has a molecular weight of 214.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpropan-1-amine;N-propylprop-2-enamide is sourced from PubChem (CID 19756679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).