N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine

C14H27N3 — CID 146664797

IUPACN-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)CN1C[C@@H](C)N(C)CC1C
InChIInChI=1S/C14H27N3/c1-11(2)15-7-12(3)8-17-10-13(4)16(6)9-14(17)5/h7,13-14H,8-10H2,1-6H3/b12-7+/t13-,14?/m1/s1
InChIKeyGKRCYPXEXGQLOC-VHLPILKOSA-N
MW237.39 g/mol
LogP2.40
Rot. Bonds3

About N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine

N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine (PubChem CID 146664797) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine
PubChem CID146664797
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)CN1C[C@@H](C)N(C)CC1C
InChIInChI=1S/C14H27N3/c1-11(2)15-7-12(3)8-17-10-13(4)16(6)9-14(17)5/h7,13-14H,8-10H2,1-6H3/b12-7+/t13-,14?/m1/s1
InChIKeyGKRCYPXEXGQLOC-VHLPILKOSA-N
XLogP2.40
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.40
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-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine?
The IUPAC name of N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine (CID 146664797) is N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine is CC(C)=N/C=C(\C)CN1C[C@@H](C)N(C)CC1C.
What is the InChIKey of N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine?
The InChIKey is GKRCYPXEXGQLOC-VHLPILKOSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)15-7-12(3)8-17-10-13(4)16(6)9-14(17)5/h7,13-14H,8-10H2,1-6H3/b12-7+/t13-,14?/m1/s1.
What are the key properties of N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine?
N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine has a molecular weight of 237.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine is sourced from PubChem (CID 146664797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).