N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide

C12H24N2O — CID 114761896

IUPACN-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1(C)CCCN1
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-11(15)13-10-12(2)8-6-9-14-12/h14H,3-10H2,1-2H3,(H,13,15)
InChIKeyAJNZRNAEHGGDBX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.83
Rot. Bonds6

About N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide

N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide (PubChem CID 114761896) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
PubChem CID114761896
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1(C)CCCN1
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-11(15)13-10-12(2)8-6-9-14-12/h14H,3-10H2,1-2H3,(H,13,15)
InChIKeyAJNZRNAEHGGDBX-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
1-(3-methylbutan-2-yl)-3-[(2-methylpyrrolidin-2-yl)methyl]urea
CID 165463454
N-[(2-methylpyrrolidin-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 114761752
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
CID 130542642
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide?
The IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide (CID 114761896) is N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide.
What is the SMILES notation for N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide?
The canonical SMILES for N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide is CCCCCC(=O)NCC1(C)CCCN1.
What is the InChIKey of N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide?
The InChIKey is AJNZRNAEHGGDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-7-11(15)13-10-12(2)8-6-9-14-12/h14H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide?
N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide has a molecular weight of 212.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide is sourced from PubChem (CID 114761896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).