(Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal

C16H24N2O — CID 156886778

IUPAC(Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal
SMILESCCCC/C(=C(/N)CCC=O)C(N)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-10-14(15(17)11-7-12-19)16(18)13-8-5-4-6-9-13/h4-6,8-9,12,16H,2-3,7,10-11,17-18H2,1H3/b15-14-
InChIKeyFXEIPCYUJHNWMG-PFONDFGASA-N
MW260.38 g/mol
LogP3.07
Rot. Bonds8

About (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal

(Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal (PubChem CID 156886778) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal.

Molecular Properties

Compound Name(Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal
PubChem CID156886778
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal
SMILESCCCC/C(=C(/N)CCC=O)C(N)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-10-14(15(17)11-7-12-19)16(18)13-8-5-4-6-9-13/h4-6,8-9,12,16H,2-3,7,10-11,17-18H2,1H3/b15-14-
InChIKeyFXEIPCYUJHNWMG-PFONDFGASA-N
XLogP3.07
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 18692902
1-amino-1-phenylheptan-2-one
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2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
2-amino-2-phenylacetamide;pentanenitrile
CID 174503013
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
[(Z)-octadec-9-enyl] (2S)-2-amino-2-phenylacetate
CID 24894063
2-butyl-6-phenyloct-2-enamide
CID 140694799
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal?
The IUPAC name of (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal (CID 156886778) is (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal.
What is the SMILES notation for (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal?
The canonical SMILES for (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal is CCCC/C(=C(/N)CCC=O)C(N)c1ccccc1.
What is the InChIKey of (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal?
The InChIKey is FXEIPCYUJHNWMG-PFONDFGASA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-10-14(15(17)11-7-12-19)16(18)13-8-5-4-6-9-13/h4-6,8-9,12,16H,2-3,7,10-11,17-18H2,1H3/b15-14-.
What are the key properties of (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal?
(Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal has a molecular weight of 260.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-5-[amino(phenyl)methyl]non-4-enal is sourced from PubChem (CID 156886778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).