N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide

C9H19N3O2 — CID 118617506

IUPACN-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide
SMILESCCN(CCC(C)O)/C(=N/C)NC=O
InChIInChI=1S/C9H19N3O2/c1-4-12(6-5-8(2)14)9(10-3)11-7-13/h7-8,14H,4-6H2,1-3H3,(H,10,11,13)
InChIKeyLQRUFOBXZKJTHS-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.19
Rot. Bonds5

About N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide

N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide (PubChem CID 118617506) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide.

Molecular Properties

Compound NameN-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide
PubChem CID118617506
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide
SMILESCCN(CCC(C)O)/C(=N/C)NC=O
InChIInChI=1S/C9H19N3O2/c1-4-12(6-5-8(2)14)9(10-3)11-7-13/h7-8,14H,4-6H2,1-3H3,(H,10,11,13)
InChIKeyLQRUFOBXZKJTHS-UHFFFAOYSA-N
XLogP-0.19
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-dimethyl-1-propylguanidine
CID 131223275
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
N-(3-hydroxybutyl)-N-methylnitrous amide
CID 145274513
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
1,1-diethyl-3-[(2S)-1-oxopropan-2-yl]urea
CID 87454696
N-(3-aminobutyl)-N-ethylpropanamide
CID 134484758
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide
CID 156711922

Frequently Asked Questions

What is the IUPAC name of N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide?
The IUPAC name of N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide (CID 118617506) is N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide.
What is the SMILES notation for N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide?
The canonical SMILES for N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide is CCN(CCC(C)O)/C(=N/C)NC=O.
What is the InChIKey of N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide?
The InChIKey is LQRUFOBXZKJTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(6-5-8(2)14)9(10-3)11-7-13/h7-8,14H,4-6H2,1-3H3,(H,10,11,13).
What are the key properties of N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide?
N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide has a molecular weight of 201.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide is sourced from PubChem (CID 118617506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).