(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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Related Compounds

(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
CID 62777723
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
(2-amino-3-methylcyclohexyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62994328
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63175042
(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63175044
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylcyclopentyl)methanone
CID 107174533
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780403
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
(4-ethylpiperazin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133273
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085

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).