N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine

C17H29N3 — CID 178017873

IUPACN-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine
SMILESC=C(/C=N/C(C)=C/C)N(C)CCC(C)/C(C)=N/C=C\C
InChIInChI=1S/C17H29N3/c1-8-11-18-17(6)14(3)10-12-20(7)16(5)13-19-15(4)9-2/h8-9,11,13-14H,5,10,12H2,1-4,6-7H3/b11-8-,15-9+,18-17+,19-13+
InChIKeyQOVGYPPIVQKQFJ-NOABKHRPSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds8

About N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine

N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine (PubChem CID 178017873) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine.

Molecular Properties

Compound NameN-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine
PubChem CID178017873
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine
SMILESC=C(/C=N/C(C)=C/C)N(C)CCC(C)/C(C)=N/C=C\C
InChIInChI=1S/C17H29N3/c1-8-11-18-17(6)14(3)10-12-20(7)16(5)13-19-15(4)9-2/h8-9,11,13-14H,5,10,12H2,1-4,6-7H3/b11-8-,15-9+,18-17+,19-13+
InChIKeyQOVGYPPIVQKQFJ-NOABKHRPSA-N
XLogP4.45
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine?
The IUPAC name of N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine (CID 178017873) is N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine.
What is the SMILES notation for N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine?
The canonical SMILES for N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine is C=C(/C=N/C(C)=C/C)N(C)CCC(C)/C(C)=N/C=C\C.
What is the InChIKey of N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine?
The InChIKey is QOVGYPPIVQKQFJ-NOABKHRPSA-N. The full InChI is InChI=1S/C17H29N3/c1-8-11-18-17(6)14(3)10-12-20(7)16(5)13-19-15(4)9-2/h8-9,11,13-14H,5,10,12H2,1-4,6-7H3/b11-8-,15-9+,18-17+,19-13+.
What are the key properties of N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine?
N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-but-2-en-2-yl]iminoprop-1-en-2-yl]-N,3-dimethyl-4-[(Z)-prop-1-enyl]iminopentan-1-amine is sourced from PubChem (CID 178017873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).