[(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate

C14H20N2O3 — CID 142232293

IUPAC[(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate
SMILESCCCCOC(=O)O/N=C(/C)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-9-18-14(17)19-16-11(2)13-7-5-12(10-15)6-8-13/h5-8H,3-4,9-10,15H2,1-2H3/b16-11-
InChIKeyZHNSKLKAQCEXGF-WJDWOHSUSA-N
MW264.32 g/mol
LogP2.82
Rot. Bonds6

About [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate

[(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate (PubChem CID 142232293) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate.

Molecular Properties

Compound Name[(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate
PubChem CID142232293
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate
SMILESCCCCOC(=O)O/N=C(/C)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-9-18-14(17)19-16-11(2)13-7-5-12(10-15)6-8-13/h5-8H,3-4,9-10,15H2,1-2H3/b16-11-
InChIKeyZHNSKLKAQCEXGF-WJDWOHSUSA-N
XLogP2.82
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)phenyl] 4-butylbenzoate
CID 170875302
(Z)-1-(4-butylphenyl)-N-methoxyethanimine
CID 90777266
butyl 4-(hydroxymethyl)benzoate
CID 54464600
1-[4-(aminomethyl)phenyl]undecan-1-one
CID 116548206
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
[4-(aminomethyl)phenyl] 4-heptylbenzoate
CID 170875303
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate
CID 143212762
dibutyl hydrogen phosphite;phenylmethanamine;propan-2-one
CID 68898928
3-[4-[4-(aminomethyl)benzoyl]phenyl]propyl propanoate
CID 54202693
butyl 4-(2-oxoethyl)benzoate
CID 89220146

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate?
The IUPAC name of [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate (CID 142232293) is [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate.
What is the SMILES notation for [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate?
The canonical SMILES for [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate is CCCCOC(=O)O/N=C(/C)c1ccc(CN)cc1.
What is the InChIKey of [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate?
The InChIKey is ZHNSKLKAQCEXGF-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-9-18-14(17)19-16-11(2)13-7-5-12(10-15)6-8-13/h5-8H,3-4,9-10,15H2,1-2H3/b16-11-.
What are the key properties of [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate?
[(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate has a molecular weight of 264.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[4-(aminomethyl)phenyl]ethylideneamino] butyl carbonate is sourced from PubChem (CID 142232293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).