(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide

C15H23N3O — CID 108861176

IUPAC(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\NCCCCC
InChIInChI=1S/C15H23N3O/c1-4-7-8-9-17-13-14(12-16)15(19)18(10-5-2)11-6-3/h5-6,13,17H,2-4,7-11H2,1H3/b14-13-
InChIKeyFGZOJLUCYJUBPL-YPKPFQOOSA-N
MW261.37 g/mol
LogP2.37
Rot. Bonds10

About (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide

(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 108861176) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID108861176
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\NCCCCC
InChIInChI=1S/C15H23N3O/c1-4-7-8-9-17-13-14(12-16)15(19)18(10-5-2)11-6-3/h5-6,13,17H,2-4,7-11H2,1H3/b14-13-
InChIKeyFGZOJLUCYJUBPL-YPKPFQOOSA-N
XLogP2.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide
CID 108861031
(Z)-3-(3-butoxypropylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861076
4-[[(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]butanoic acid
CID 108861100
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(pentylamino)prop-2-enamide
CID 108844450
(Z)-3-(butan-2-ylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861069
(Z)-3-[2-(4-chlorophenyl)ethylamino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861367
(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844518
(Z)-3-[2-(2-bromophenyl)ethylamino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861360
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(3-hydroxypropylamino)prop-2-enamide
CID 108844472
2-[[(Z)-2-cyano-3-(pentylamino)prop-2-enoyl]amino]acetic acid
CID 108844077
(Z)-N-butyl-3-(butylamino)-2-cyanoprop-2-enamide
CID 108833598
(Z)-N-butan-2-yl-2-cyano-3-(pentylamino)prop-2-enamide
CID 108834447

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 108861176) is (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\NCCCCC.
What is the InChIKey of (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is FGZOJLUCYJUBPL-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-7-8-9-17-13-14(12-16)15(19)18(10-5-2)11-6-3/h5-6,13,17H,2-4,7-11H2,1H3/b14-13-.
What are the key properties of (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 108861176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).