N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine

C14H31N3O — CID 143490321

IUPACN-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
SMILESC=C(C)NCC.CCCN(CCC)CNC(C)=O
InChIInChI=1S/C9H20N2O.C5H11N/c1-4-6-11(7-5-2)8-10-9(3)12;1-4-6-5(2)3/h4-8H2,1-3H3,(H,10,12);6H,2,4H2,1,3H3
InChIKeyWHOKDMPHZQQLBP-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.33
Rot. Bonds8

About N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine

N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine (PubChem CID 143490321) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine.

Molecular Properties

Compound NameN-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
PubChem CID143490321
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
SMILESC=C(C)NCC.CCCN(CCC)CNC(C)=O
InChIInChI=1S/C9H20N2O.C5H11N/c1-4-6-11(7-5-2)8-10-9(3)12;1-4-6-5(2)3/h4-8H2,1-3H3,(H,10,12);6H,2,4H2,1,3H3
InChIKeyWHOKDMPHZQQLBP-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one
CID 23183243
N-[1-[[(Z)-1-(dimethylamino)prop-1-enyl]amino]ethyl]-N-methylacetamide
CID 59110192
1-Methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
1,1-Diethyl-3-prop-1-en-2-ylurea
CID 108910320
N-[1-[3-(dimethylamino)propylamino]ethenyl]-N-ethylpropanamide
CID 117999969
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
CID 143490425
1-Butyl-3-prop-1-en-2-yl-1-propylurea
CID 108910280
1,1-Dibutyl-3-prop-1-en-2-ylurea
CID 108910306
1-[3-(Diethylamino)propyl]-3-prop-1-en-2-ylurea
CID 108910307

Frequently Asked Questions

What is the IUPAC name of N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine?
The IUPAC name of N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine (CID 143490321) is N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine.
What is the SMILES notation for N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine?
The canonical SMILES for N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine is C=C(C)NCC.CCCN(CCC)CNC(C)=O.
What is the InChIKey of N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine?
The InChIKey is WHOKDMPHZQQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C5H11N/c1-4-6-11(7-5-2)8-10-9(3)12;1-4-6-5(2)3/h4-8H2,1-3H3,(H,10,12);6H,2,4H2,1,3H3.
What are the key properties of N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine?
N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine has a molecular weight of 257.42 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine is sourced from PubChem (CID 143490321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).