(E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine

C16H25N3O — CID 153330845

IUPAC(E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine
SMILESCCNC(C)C(OC)C(/C=N/Cc1ccccc1)=C/N
InChIInChI=1S/C16H25N3O/c1-4-19-13(2)16(20-3)15(10-17)12-18-11-14-8-6-5-7-9-14/h5-10,12-13,16,19H,4,11,17H2,1-3H3/b15-10+,18-12+
InChIKeyBDMPXYYNUZBFSM-XSDUGUOQSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds8

About (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine

(E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine (PubChem CID 153330845) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine
PubChem CID153330845
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine
SMILESCCNC(C)C(OC)C(/C=N/Cc1ccccc1)=C/N
InChIInChI=1S/C16H25N3O/c1-4-19-13(2)16(20-3)15(10-17)12-18-11-14-8-6-5-7-9-14/h5-10,12-13,16,19H,4,11,17H2,1-3H3/b15-10+,18-12+
InChIKeyBDMPXYYNUZBFSM-XSDUGUOQSA-N
XLogP2.11
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine?
The IUPAC name of (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine (CID 153330845) is (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine.
What is the SMILES notation for (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine?
The canonical SMILES for (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine is CCNC(C)C(OC)C(/C=N/Cc1ccccc1)=C/N.
What is the InChIKey of (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine?
The InChIKey is BDMPXYYNUZBFSM-XSDUGUOQSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19-13(2)16(20-3)15(10-17)12-18-11-14-8-6-5-7-9-14/h5-10,12-13,16,19H,4,11,17H2,1-3H3/b15-10+,18-12+.
What are the key properties of (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine?
(E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzyliminomethyl)-4-N-ethyl-3-methoxypent-1-ene-1,4-diamine is sourced from PubChem (CID 153330845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).