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

C15H29N3O — CID 81493466

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCCC2CN)CC1
InChIInChI=1S/C15H29N3O/c1-12-5-7-13(8-6-12)17(2)15(19)11-18-9-3-4-14(18)10-16/h12-14H,3-11,16H2,1-2H3
InChIKeyGSHBQOSIFARMTF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds4

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 81493466) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID81493466
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCCC2CN)CC1
InChIInChI=1S/C15H29N3O/c1-12-5-7-13(8-6-12)17(2)15(19)11-18-9-3-4-14(18)10-16/h12-14H,3-11,16H2,1-2H3
InChIKeyGSHBQOSIFARMTF-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 103441770
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
N-cyclopropyl-N-methyl-2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848709
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 102785072
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
N-cyclopropyl-2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-methylacetamide
CID 55258180

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 81493466) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN2CCCC2CN)CC1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is GSHBQOSIFARMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-5-7-13(8-6-12)17(2)15(19)11-18-9-3-4-14(18)10-16/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 81493466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).