N-butylbutan-1-amine;N-propylprop-2-enamide

C14H30N2O — CID 22596638

IUPACN-butylbutan-1-amine;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.CCCCNCCCC
InChIInChI=1S/C8H19N.C6H11NO/c1-3-5-7-9-8-6-4-2;1-3-5-7-6(8)4-2/h9H,3-8H2,1-2H3;4H,2-3,5H2,1H3,(H,7,8)
InChIKeyMCEGCVBJZHSQCV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.87
Rot. Bonds9

About N-butylbutan-1-amine;N-propylprop-2-enamide

N-butylbutan-1-amine;N-propylprop-2-enamide (PubChem CID 22596638) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-butylbutan-1-amine;N-propylprop-2-enamide.

Molecular Properties

Compound NameN-butylbutan-1-amine;N-propylprop-2-enamide
PubChem CID22596638
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-butylbutan-1-amine;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.CCCCNCCCC
InChIInChI=1S/C8H19N.C6H11NO/c1-3-5-7-9-8-6-4-2;1-3-5-7-6(8)4-2/h9H,3-8H2,1-2H3;4H,2-3,5H2,1H3,(H,7,8)
InChIKeyMCEGCVBJZHSQCV-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-heptadecylprop-2-enamide
CID 20727742
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
carbonic acid;N-hexylprop-2-enamide
CID 22445987
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-benzylprop-2-enamide;N-butylbutan-1-amine
CID 66969925
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;N-propylprop-2-enamide?
The IUPAC name of N-butylbutan-1-amine;N-propylprop-2-enamide (CID 22596638) is N-butylbutan-1-amine;N-propylprop-2-enamide.
What is the SMILES notation for N-butylbutan-1-amine;N-propylprop-2-enamide?
The canonical SMILES for N-butylbutan-1-amine;N-propylprop-2-enamide is C=CC(=O)NCCC.CCCCNCCCC.
What is the InChIKey of N-butylbutan-1-amine;N-propylprop-2-enamide?
The InChIKey is MCEGCVBJZHSQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C6H11NO/c1-3-5-7-9-8-6-4-2;1-3-5-7-6(8)4-2/h9H,3-8H2,1-2H3;4H,2-3,5H2,1H3,(H,7,8).
What are the key properties of N-butylbutan-1-amine;N-propylprop-2-enamide?
N-butylbutan-1-amine;N-propylprop-2-enamide has a molecular weight of 242.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;N-propylprop-2-enamide is sourced from PubChem (CID 22596638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).