N-[2-(dipropylamino)propyl]prop-2-enamide

C12H24N2O — CID 146592668

IUPACN-[2-(dipropylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)N(CCC)CCC
InChIInChI=1S/C12H24N2O/c1-5-8-14(9-6-2)11(4)10-13-12(15)7-3/h7,11H,3,5-6,8-10H2,1-2,4H3,(H,13,15)
InChIKeyKSJIHIJRMCIJQA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds8

About N-[2-(dipropylamino)propyl]prop-2-enamide

N-[2-(dipropylamino)propyl]prop-2-enamide (PubChem CID 146592668) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(dipropylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)propyl]prop-2-enamide
PubChem CID146592668
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(dipropylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)N(CCC)CCC
InChIInChI=1S/C12H24N2O/c1-5-8-14(9-6-2)11(4)10-13-12(15)7-3/h7,11H,3,5-6,8-10H2,1-2,4H3,(H,13,15)
InChIKeyKSJIHIJRMCIJQA-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-(2-aminopropyl)prop-2-enamide
CID 19993421
3-[ethyl-[1-(prop-2-enoylamino)propan-2-yl]amino]butane-1-sulfonic acid
CID 140867402
N-[3-[prop-2-enoyl(propyl)amino]butyl]prop-2-enamide
CID 134438406
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
CID 138461440
molecular hydrogen;N-propylprop-2-enamide
CID 153372503

Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-(dipropylamino)propyl]prop-2-enamide (CID 146592668) is N-[2-(dipropylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-(dipropylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-(dipropylamino)propyl]prop-2-enamide is C=CC(=O)NCC(C)N(CCC)CCC.
What is the InChIKey of N-[2-(dipropylamino)propyl]prop-2-enamide?
The InChIKey is KSJIHIJRMCIJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-8-14(9-6-2)11(4)10-13-12(15)7-3/h7,11H,3,5-6,8-10H2,1-2,4H3,(H,13,15).
What are the key properties of N-[2-(dipropylamino)propyl]prop-2-enamide?
N-[2-(dipropylamino)propyl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)propyl]prop-2-enamide is sourced from PubChem (CID 146592668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).