N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine

C14H31N3O — CID 143490425

IUPACN-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
SMILESC=C(C)NCN(CCC)CCC.CCNC(C)=O
InChIInChI=1S/C10H22N2.C4H9NO/c1-5-7-12(8-6-2)9-11-10(3)4;1-3-5-4(2)6/h11H,3,5-9H2,1-2,4H3;3H2,1-2H3,(H,5,6)
InChIKeyASRCODZUTGPTAH-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.33
Rot. Bonds8

About N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine

N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine (PubChem CID 143490425) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine.

Molecular Properties

Compound NameN-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
PubChem CID143490425
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
SMILESC=C(C)NCN(CCC)CCC.CCNC(C)=O
InChIInChI=1S/C10H22N2.C4H9NO/c1-5-7-12(8-6-2)9-11-10(3)4;1-3-5-4(2)6/h11H,3,5-9H2,1-2,4H3;3H2,1-2H3,(H,5,6)
InChIKeyASRCODZUTGPTAH-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

N-[1-[[(Z)-1-(dimethylamino)prop-1-enyl]amino]ethyl]-N-methylacetamide
CID 59110192
N-[4-(prop-1-en-2-ylamino)butyl]acetamide
CID 88972536
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
N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
CID 90245574
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-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
CID 143490321
N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide
CID 145316110
1-[(E)-but-2-en-2-yl]-3-[3-(ethylamino)propyl]urea
CID 145488721

Frequently Asked Questions

What is the IUPAC name of N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine?
The IUPAC name of N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine (CID 143490425) is N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine.
What is the SMILES notation for N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine?
The canonical SMILES for N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine is C=C(C)NCN(CCC)CCC.CCNC(C)=O.
What is the InChIKey of N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine?
The InChIKey is ASRCODZUTGPTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C4H9NO/c1-5-7-12(8-6-2)9-11-10(3)4;1-3-5-4(2)6/h11H,3,5-9H2,1-2,4H3;3H2,1-2H3,(H,5,6).
What are the key properties of N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine?
N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine 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-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine is sourced from PubChem (CID 143490425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).