N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide

C13H25N3O — CID 79160948

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(C(=O)N1CCCC1)C1CCCCC1CN
InChIInChI=1S/C13H25N3O/c1-15(13(17)16-8-4-5-9-16)12-7-3-2-6-11(12)10-14/h11-12H,2-10,14H2,1H3
InChIKeyHGTVMZXMPMCEMN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds2

About N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide

N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 79160948) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID79160948
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(C(=O)N1CCCC1)C1CCCCC1CN
InChIInChI=1S/C13H25N3O/c1-15(13(17)16-8-4-5-9-16)12-7-3-2-6-11(12)10-14/h11-12H,2-10,14H2,1H3
InChIKeyHGTVMZXMPMCEMN-UHFFFAOYSA-N
XLogP1.65
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide (CID 79160948) is N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide is CN(C(=O)N1CCCC1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is HGTVMZXMPMCEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(13(17)16-8-4-5-9-16)12-7-3-2-6-11(12)10-14/h11-12H,2-10,14H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79160948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).