N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine

C13H21N3 — CID 166813215

IUPACN-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(NC1C=CC=CC1)N1CCN(C)CC1
InChIInChI=1S/C13H21N3/c1-12(14-13-6-4-3-5-7-13)16-10-8-15(2)9-11-16/h3-6,13-14H,1,7-11H2,2H3
InChIKeyVTQUBGRWBRPABW-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine

N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine (PubChem CID 166813215) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine
PubChem CID166813215
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(NC1C=CC=CC1)N1CCN(C)CC1
InChIInChI=1S/C13H21N3/c1-12(14-13-6-4-3-5-7-13)16-10-8-15(2)9-11-16/h3-6,13-14H,1,7-11H2,2H3
InChIKeyVTQUBGRWBRPABW-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine (CID 166813215) is N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine is C=C(NC1C=CC=CC1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is VTQUBGRWBRPABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-12(14-13-6-4-3-5-7-13)16-10-8-15(2)9-11-16/h3-6,13-14H,1,7-11H2,2H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 166813215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).