N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide

C9H17N3O2 — CID 108910721

IUPACN-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide
SMILESCC/C=C/NC(=O)N(C=O)CCCN
InChIInChI=1S/C9H17N3O2/c1-2-3-6-11-9(14)12(8-13)7-4-5-10/h3,6,8H,2,4-5,7,10H2,1H3,(H,11,14)/b6-3+
InChIKeyBYHRZTDJNMNOBW-ZZXKWVIFSA-N
MW199.25 g/mol
LogP0.43
Rot. Bonds6

About N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide

N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide (PubChem CID 108910721) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide
PubChem CID108910721
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide
SMILESCC/C=C/NC(=O)N(C=O)CCCN
InChIInChI=1S/C9H17N3O2/c1-2-3-6-11-9(14)12(8-13)7-4-5-10/h3,6,8H,2,4-5,7,10H2,1H3,(H,11,14)/b6-3+
InChIKeyBYHRZTDJNMNOBW-ZZXKWVIFSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-but-1-enyl]-1,1-dipropylurea
CID 108910720
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide
CID 108504039
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
N-(3-aminopropyl)-2-cyano-N-formylacetamide
CID 108814613
N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
CID 108881756
N-[3-(diethylamino)propyl]-N-(ethylcarbamoyl)formamide
CID 144670574
N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide
CID 108870763
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504251
N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide
CID 108503782
ethyl 4-[[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500130

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide (CID 108910721) is N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide is CC/C=C/NC(=O)N(C=O)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide?
The InChIKey is BYHRZTDJNMNOBW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-6-11-9(14)12(8-13)7-4-5-10/h3,6,8H,2,4-5,7,10H2,1H3,(H,11,14)/b6-3+.
What are the key properties of N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide?
N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide has a molecular weight of 199.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide is sourced from PubChem (CID 108910721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).