2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

C15H29N3O — CID 106026215

IUPAC2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCNC1(CC(=O)NCC2CCCN2C)CCCCC1
InChIInChI=1S/C15H29N3O/c1-16-15(8-4-3-5-9-15)11-14(19)17-12-13-7-6-10-18(13)2/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyJYEXVEHEFBXRQJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 106026215) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID106026215
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCNC1(CC(=O)NCC2CCCN2C)CCCCC1
InChIInChI=1S/C15H29N3O/c1-16-15(8-4-3-5-9-15)11-14(19)17-12-13-7-6-10-18(13)2/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyJYEXVEHEFBXRQJ-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 65242512
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
N-[(3-hydroxycyclopentyl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106133987
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
2-[1-(methylamino)cyclohexyl]-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418498
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106019327
2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
CID 94822117
1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242450
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 106026215) is 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CNC1(CC(=O)NCC2CCCN2C)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is JYEXVEHEFBXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16-15(8-4-3-5-9-15)11-14(19)17-12-13-7-6-10-18(13)2/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 106026215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).