N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine

C14H27N3 — CID 143643390

IUPACN-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine
SMILESC=C(N1CCN(C)CC1)C1(NC)CCCCC1
InChIInChI=1S/C14H27N3/c1-13(17-11-9-16(3)10-12-17)14(15-2)7-5-4-6-8-14/h15H,1,4-12H2,2-3H3
InChIKeyHBIQKMSDDMHWCA-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine

N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine (PubChem CID 143643390) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine
PubChem CID143643390
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine
SMILESC=C(N1CCN(C)CC1)C1(NC)CCCCC1
InChIInChI=1S/C14H27N3/c1-13(17-11-9-16(3)10-12-17)14(15-2)7-5-4-6-8-14/h15H,1,4-12H2,2-3H3
InChIKeyHBIQKMSDDMHWCA-UHFFFAOYSA-N
XLogP1.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine (CID 143643390) is N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine is C=C(N1CCN(C)CC1)C1(NC)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine?
The InChIKey is HBIQKMSDDMHWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(17-11-9-16(3)10-12-17)14(15-2)7-5-4-6-8-14/h15H,1,4-12H2,2-3H3.
What are the key properties of N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine?
N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 143643390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).