2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide

C15H30N4O — CID 80505960

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1CCN(C)CC1CN
InChIInChI=1S/C15H30N4O/c1-12-5-3-4-6-14(12)17-15(20)11-19-8-7-18(2)10-13(19)9-16/h12-14H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyJGWBIPBDQRIOQO-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.26
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 80505960) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID80505960
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1CCN(C)CC1CN
InChIInChI=1S/C15H30N4O/c1-12-5-3-4-6-14(12)17-15(20)11-19-8-7-18(2)10-13(19)9-16/h12-14H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyJGWBIPBDQRIOQO-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 60524224
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
CID 61235181
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
methyl (2S)-4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]thiomorpholine-2-carboxylate
CID 8549747
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 80505960) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN1CCN(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is JGWBIPBDQRIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-12-5-3-4-6-14(12)17-15(20)11-19-8-7-18(2)10-13(19)9-16/h12-14H,3-11,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 80505960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).