N-[4-(propylamino)butyl]prop-2-enamide

C10H20N2O — CID 87503940

IUPACN-[4-(propylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCNCCC
InChIInChI=1S/C10H20N2O/c1-3-7-11-8-5-6-9-12-10(13)4-2/h4,11H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyNFMKGXNHAHNIEK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds8

About N-[4-(propylamino)butyl]prop-2-enamide

N-[4-(propylamino)butyl]prop-2-enamide (PubChem CID 87503940) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[4-(propylamino)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(propylamino)butyl]prop-2-enamide
PubChem CID87503940
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[4-(propylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCNCCC
InChIInChI=1S/C10H20N2O/c1-3-7-11-8-5-6-9-12-10(13)4-2/h4,11H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyNFMKGXNHAHNIEK-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
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-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-heptadecylprop-2-enamide
CID 20727742
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylamino)butyl]prop-2-enamide?
The IUPAC name of N-[4-(propylamino)butyl]prop-2-enamide (CID 87503940) is N-[4-(propylamino)butyl]prop-2-enamide.
What is the SMILES notation for N-[4-(propylamino)butyl]prop-2-enamide?
The canonical SMILES for N-[4-(propylamino)butyl]prop-2-enamide is C=CC(=O)NCCCCNCCC.
What is the InChIKey of N-[4-(propylamino)butyl]prop-2-enamide?
The InChIKey is NFMKGXNHAHNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-7-11-8-5-6-9-12-10(13)4-2/h4,11H,2-3,5-9H2,1H3,(H,12,13).
What are the key properties of N-[4-(propylamino)butyl]prop-2-enamide?
N-[4-(propylamino)butyl]prop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylamino)butyl]prop-2-enamide is sourced from PubChem (CID 87503940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).