N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

C14H27BrN2 — CID 79319455

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN(CC1CCCN1C)CC1(CBr)CCCC1
InChIInChI=1S/C14H27BrN2/c1-16(10-13-6-5-9-17(13)2)12-14(11-15)7-3-4-8-14/h13H,3-12H2,1-2H3
InChIKeyJYAAPCSLGIQVEO-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.97
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 79319455) has the molecular formula C14H27BrN2 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID79319455
Molecular FormulaC14H27BrN2
Molecular Weight303.29 g/mol
Exact Mass302.14
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN(CC1CCCN1C)CC1(CBr)CCCC1
InChIInChI=1S/C14H27BrN2/c1-16(10-13-6-5-9-17(13)2)12-14(11-15)7-3-4-8-14/h13H,3-12H2,1-2H3
InChIKeyJYAAPCSLGIQVEO-UHFFFAOYSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexyl]methanol
CID 79312845
[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol
CID 79312693
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79319761
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 79319125
1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79313273
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65009854
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 65010272
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 65013492
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (CID 79319455) is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is CN(CC1CCCN1C)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is JYAAPCSLGIQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2/c1-16(10-13-6-5-9-17(13)2)12-14(11-15)7-3-4-8-14/h13H,3-12H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 303.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 79319455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).