(E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine

C16H25N2P — CID 130390687

IUPAC(E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine
SMILES[H]/N=C(/C=C(\C)c1ccc(C)cc1)C(N)PC(C)(C)C
InChIInChI=1S/C16H25N2P/c1-11-6-8-13(9-7-11)12(2)10-14(17)15(18)19-16(3,4)5/h6-10,15,17,19H,18H2,1-5H3/b12-10+,17-14-
InChIKeyDEHRKGWCXYXKMS-CZGIYDROSA-N
MW276.36 g/mol
LogP4.18
Rot. Bonds4

About (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine

(E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine (PubChem CID 130390687) has the molecular formula C16H25N2P and a molecular weight of 276.36 g/mol. Its IUPAC name is (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine
PubChem CID130390687
Molecular FormulaC16H25N2P
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name(E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine
SMILES[H]/N=C(/C=C(\C)c1ccc(C)cc1)C(N)PC(C)(C)C
InChIInChI=1S/C16H25N2P/c1-11-6-8-13(9-7-11)12(2)10-14(17)15(18)19-16(3,4)5/h6-10,15,17,19H,18H2,1-5H3/b12-10+,17-14-
InChIKeyDEHRKGWCXYXKMS-CZGIYDROSA-N
XLogP4.18
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine?
The IUPAC name of (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine (CID 130390687) is (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine is [H]/N=C(/C=C(\C)c1ccc(C)cc1)C(N)PC(C)(C)C.
What is the InChIKey of (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine?
The InChIKey is DEHRKGWCXYXKMS-CZGIYDROSA-N. The full InChI is InChI=1S/C16H25N2P/c1-11-6-8-13(9-7-11)12(2)10-14(17)15(18)19-16(3,4)5/h6-10,15,17,19H,18H2,1-5H3/b12-10+,17-14-.
What are the key properties of (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine?
(E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine has a molecular weight of 276.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-tert-butylphosphanyl-2-imino-4-(4-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 130390687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).