N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine

C10H21N3 — CID 58279600

IUPACN-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine
SMILESC=C(C)N1CCN(CCNC)CC1
InChIInChI=1S/C10H21N3/c1-10(2)13-8-6-12(7-9-13)5-4-11-3/h11H,1,4-9H2,2-3H3
InChIKeyUPQMGCPBJZWJJN-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.36
Rot. Bonds4

About N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine

N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine (PubChem CID 58279600) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine
PubChem CID58279600
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine
SMILESC=C(C)N1CCN(CCNC)CC1
InChIInChI=1S/C10H21N3/c1-10(2)13-8-6-12(7-9-13)5-4-11-3/h11H,1,4-9H2,2-3H3
InChIKeyUPQMGCPBJZWJJN-UHFFFAOYSA-N
XLogP0.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine (CID 58279600) is N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine is C=C(C)N1CCN(CCNC)CC1.
What is the InChIKey of N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is UPQMGCPBJZWJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2)13-8-6-12(7-9-13)5-4-11-3/h11H,1,4-9H2,2-3H3.
What are the key properties of N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine?
N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 183.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 58279600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).