(E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine

C8H17N3 — CID 143378572

IUPAC(E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine
SMILESC/C(N)=C\N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-8(9)7-11-5-3-10(2)4-6-11/h7H,3-6,9H2,1-2H3/b8-7+
InChIKeyIFLKMCPGEMLOJO-BQYQJAHWSA-N
MW155.25 g/mol
LogP0.05
Rot. Bonds1

About (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine

(E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine (PubChem CID 143378572) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine
PubChem CID143378572
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine
SMILESC/C(N)=C\N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-8(9)7-11-5-3-10(2)4-6-11/h7H,3-6,9H2,1-2H3/b8-7+
InChIKeyIFLKMCPGEMLOJO-BQYQJAHWSA-N
XLogP0.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine
CID 143677984
1,4-dimethylpiperazine;ethane
CID 91292414
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
CID 108861889
1,4-bis[(Z)-2-methylbut-1-enyl]piperazine
CID 88614565
2-(4-methylpiperazin-1-yl)ethenylsilane
CID 175845342
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
N'-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 83024710
ethyl (E)-3-(4-methylpiperazin-1-yl)prop-2-enoate
CID 15300719
1-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108862046
(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine?
The IUPAC name of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine (CID 143378572) is (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine.
What is the SMILES notation for (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine?
The canonical SMILES for (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine is C/C(N)=C\N1CCN(C)CC1.
What is the InChIKey of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine?
The InChIKey is IFLKMCPGEMLOJO-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(9)7-11-5-3-10(2)4-6-11/h7H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine?
(E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine has a molecular weight of 155.25 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylpiperazin-1-yl)prop-1-en-2-amine is sourced from PubChem (CID 143378572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).