(E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one

C20H34N2O — CID 142997480

IUPAC(E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one
SMILESC/C(N)=C\C(=C/CCNC1CCCCC1)C(=O)C1CCCCC1
InChIInChI=1S/C20H34N2O/c1-16(21)15-18(20(23)17-9-4-2-5-10-17)11-8-14-22-19-12-6-3-7-13-19/h11,15,17,19,22H,2-10,12-14,21H2,1H3/b16-15+,18-11+
InChIKeyNZNBYBYALAMWRH-PVCWGTKUSA-N
MW318.50 g/mol
LogP4.24
Rot. Bonds7

About (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one

(E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one (PubChem CID 142997480) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one
PubChem CID142997480
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name(E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one
SMILESC/C(N)=C\C(=C/CCNC1CCCCC1)C(=O)C1CCCCC1
InChIInChI=1S/C20H34N2O/c1-16(21)15-18(20(23)17-9-4-2-5-10-17)11-8-14-22-19-12-6-3-7-13-19/h11,15,17,19,22H,2-10,12-14,21H2,1H3/b16-15+,18-11+
InChIKeyNZNBYBYALAMWRH-PVCWGTKUSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one?
The IUPAC name of (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one (CID 142997480) is (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one.
What is the SMILES notation for (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one?
The canonical SMILES for (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one is C/C(N)=C\C(=C/CCNC1CCCCC1)C(=O)C1CCCCC1.
What is the InChIKey of (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one?
The InChIKey is NZNBYBYALAMWRH-PVCWGTKUSA-N. The full InChI is InChI=1S/C20H34N2O/c1-16(21)15-18(20(23)17-9-4-2-5-10-17)11-8-14-22-19-12-6-3-7-13-19/h11,15,17,19,22H,2-10,12-14,21H2,1H3/b16-15+,18-11+.
What are the key properties of (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one?
(E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one has a molecular weight of 318.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(E)-2-aminoprop-1-enyl]-1-cyclohexyl-5-(cyclohexylamino)pent-2-en-1-one is sourced from PubChem (CID 142997480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).