3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide

C15H30N4O — CID 63899029

IUPAC3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCN(C)C(CNC(=O)C2CCCC(CN)C2)C1
InChIInChI=1S/C15H30N4O/c1-18-6-7-19(2)14(11-18)10-17-15(20)13-5-3-4-12(8-13)9-16/h12-14H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyGHFIDEWOSDUFBF-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.11
Rot. Bonds4

About 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide

3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 63899029) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID63899029
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCN(C)C(CNC(=O)C2CCCC(CN)C2)C1
InChIInChI=1S/C15H30N4O/c1-18-6-7-19(2)14(11-18)10-17-15(20)13-5-3-4-12(8-13)9-16/h12-14H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyGHFIDEWOSDUFBF-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201
3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
CID 62807267
N-(2-acetamidoethyl)-3-(aminomethyl)cyclohexane-1-carboxamide
CID 62806418
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779490
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808359
3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide (CID 63899029) is 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide is CN1CCN(C)C(CNC(=O)C2CCCC(CN)C2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is GHFIDEWOSDUFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-18-6-7-19(2)14(11-18)10-17-15(20)13-5-3-4-12(8-13)9-16/h12-14H,3-11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide?
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63899029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).