N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C16H31N3O — CID 106614235

IUPACN-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCC1CCC(N(C)C(=O)CN(C)CC2CCCN2)CC1
InChIInChI=1S/C16H31N3O/c1-13-6-8-15(9-7-13)19(3)16(20)12-18(2)11-14-5-4-10-17-14/h13-15,17H,4-12H2,1-3H3
InChIKeyQFAQARBMQSOLOF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614235) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614235
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCC1CCC(N(C)C(=O)CN(C)CC2CCCN2)CC1
InChIInChI=1S/C16H31N3O/c1-13-6-8-15(9-7-13)19(3)16(20)12-18(2)11-14-5-4-10-17-14/h13-15,17H,4-12H2,1-3H3
InChIKeyQFAQARBMQSOLOF-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614264
N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 106613703
N-cyclopropyl-2-[methyl-[2-[methyl(pyrrolidin-2-ylmethyl)amino]acetyl]amino]acetamide
CID 106614156
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55060589
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301471
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912963
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 107203823
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 104979273
N-methyl-N-(1-methylpiperidin-4-yl)-2-piperidin-2-ylacetamide
CID 43151295

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614235) is N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is CC1CCC(N(C)C(=O)CN(C)CC2CCCN2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is QFAQARBMQSOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-6-8-15(9-7-13)19(3)16(20)12-18(2)11-14-5-4-10-17-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).