N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine

C16H29N3 — CID 169170169

IUPACN-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine
SMILESC/C=C\C(C)=N/C(=C/CC)N1CCC(C(C)NC)C1
InChIInChI=1S/C16H29N3/c1-6-8-13(3)18-16(9-7-2)19-11-10-15(12-19)14(4)17-5/h6,8-9,14-15,17H,7,10-12H2,1-5H3/b8-6-,16-9-,18-13-
InChIKeySUWZIRPJVSOHJJ-DDMHVHMVSA-N
MW263.43 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine

N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine (PubChem CID 169170169) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine
PubChem CID169170169
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine
SMILESC/C=C\C(C)=N/C(=C/CC)N1CCC(C(C)NC)C1
InChIInChI=1S/C16H29N3/c1-6-8-13(3)18-16(9-7-2)19-11-10-15(12-19)14(4)17-5/h6,8-9,14-15,17H,7,10-12H2,1-5H3/b8-6-,16-9-,18-13-
InChIKeySUWZIRPJVSOHJJ-DDMHVHMVSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
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-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine (CID 169170169) is N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine is C/C=C\C(C)=N/C(=C/CC)N1CCC(C(C)NC)C1.
What is the InChIKey of N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is SUWZIRPJVSOHJJ-DDMHVHMVSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-8-13(3)18-16(9-7-2)19-11-10-15(12-19)14(4)17-5/h6,8-9,14-15,17H,7,10-12H2,1-5H3/b8-6-,16-9-,18-13-.
What are the key properties of N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine?
N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 169170169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).