(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol

C14H24N2O — CID 89153937

IUPAC(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C(N)/C=C(\C=C/C)C(O)NC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-7-12(10-11(2)15)14(17)16-13-8-5-4-6-9-13/h3,7,10,13-14,16-17H,2,4-6,8-9,15H2,1H3/b7-3-,12-10+
InChIKeyIIYDXNLTKPFROB-DTFKZNEQSA-N
MW236.36 g/mol
LogP2.20
Rot. Bonds5

About (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol

(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol (PubChem CID 89153937) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol
PubChem CID89153937
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C(N)/C=C(\C=C/C)C(O)NC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-7-12(10-11(2)15)14(17)16-13-8-5-4-6-9-13/h3,7,10,13-14,16-17H,2,4-6,8-9,15H2,1H3/b7-3-,12-10+
InChIKeyIIYDXNLTKPFROB-DTFKZNEQSA-N
XLogP2.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol (CID 89153937) is (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol is C=C(N)/C=C(\C=C/C)C(O)NC1CCCCC1.
What is the InChIKey of (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol?
The InChIKey is IIYDXNLTKPFROB-DTFKZNEQSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-7-12(10-11(2)15)14(17)16-13-8-5-4-6-9-13/h3,7,10,13-14,16-17H,2,4-6,8-9,15H2,1H3/b7-3-,12-10+.
What are the key properties of (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol?
(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 89153937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).