N-(3-aminopropyl)-N-propylprop-2-enamide

C9H18N2O — CID 150203035

IUPACN-(3-aminopropyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCN
InChIInChI=1S/C9H18N2O/c1-3-7-11(8-5-6-10)9(12)4-2/h4H,2-3,5-8,10H2,1H3
InChIKeyFPWWOLBBOGRDTI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds6

About N-(3-aminopropyl)-N-propylprop-2-enamide

N-(3-aminopropyl)-N-propylprop-2-enamide (PubChem CID 150203035) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propylprop-2-enamide
PubChem CID150203035
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(3-aminopropyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCN
InChIInChI=1S/C9H18N2O/c1-3-7-11(8-5-6-10)9(12)4-2/h4H,2-3,5-8,10H2,1H3
InChIKeyFPWWOLBBOGRDTI-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
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

N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
CID 140502794
CID 140502794
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propylprop-2-enamide?
The IUPAC name of N-(3-aminopropyl)-N-propylprop-2-enamide (CID 150203035) is N-(3-aminopropyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(3-aminopropyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-propylprop-2-enamide?
The InChIKey is FPWWOLBBOGRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7-11(8-5-6-10)9(12)4-2/h4H,2-3,5-8,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-propylprop-2-enamide?
N-(3-aminopropyl)-N-propylprop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propylprop-2-enamide is sourced from PubChem (CID 150203035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).