[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine

C14H29N3 — CID 64760134

IUPAC[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C14H29N3/c1-12-4-5-14(11-15,13(2)10-12)17-8-6-16(3)7-9-17/h12-13H,4-11,15H2,1-3H3
InChIKeyREBMTTOHPHPLQW-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.39
Rot. Bonds2

About [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine

[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 64760134) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
PubChem CID64760134
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C14H29N3/c1-12-4-5-14(11-15,13(2)10-12)17-8-6-16(3)7-9-17/h12-13H,4-11,15H2,1-3H3
InChIKeyREBMTTOHPHPLQW-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine (CID 64760134) is [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine is CC1CCC(CN)(N2CCN(C)CC2)C(C)C1.
What is the InChIKey of [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine?
The InChIKey is REBMTTOHPHPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-4-5-14(11-15,13(2)10-12)17-8-6-16(3)7-9-17/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine?
[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64760134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).