(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone

C14H27N3O — CID 55116652

IUPAC(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCC(C)C2N)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-7-9-17(10-8-16)14(18)12-6-4-5-11(2)13(12)15/h11-13H,3-10,15H2,1-2H3
InChIKeyLAGFGCPVGYSIIC-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds2

About (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone

(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 55116652) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID55116652
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCC(C)C2N)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-7-9-17(10-8-16)14(18)12-6-4-5-11(2)13(12)15/h11-13H,3-10,15H2,1-2H3
InChIKeyLAGFGCPVGYSIIC-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone (CID 55116652) is (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCCC(C)C2N)CC1.
What is the InChIKey of (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is LAGFGCPVGYSIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-16-7-9-17(10-8-16)14(18)12-6-4-5-11(2)13(12)15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone?
(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 55116652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).