N-[(3-aminocyclopentyl)methyl]-N-methylaniline

C13H20N2 — CID 66008204

IUPACN-[(3-aminocyclopentyl)methyl]-N-methylaniline
SMILESCN(CC1CCC(N)C1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-15(13-5-3-2-4-6-13)10-11-7-8-12(14)9-11/h2-6,11-12H,7-10,14H2,1H3
InChIKeyCVLLDOYIBHSXRT-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.25
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]-N-methylaniline

N-[(3-aminocyclopentyl)methyl]-N-methylaniline (PubChem CID 66008204) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-N-methylaniline
PubChem CID66008204
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(3-aminocyclopentyl)methyl]-N-methylaniline
SMILESCN(CC1CCC(N)C1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-15(13-5-3-2-4-6-13)10-11-7-8-12(14)9-11/h2-6,11-12H,7-10,14H2,1H3
InChIKeyCVLLDOYIBHSXRT-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-N-methylaniline?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-N-methylaniline (CID 66008204) is N-[(3-aminocyclopentyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-N-methylaniline is CN(CC1CCC(N)C1)c1ccccc1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-N-methylaniline?
The InChIKey is CVLLDOYIBHSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(13-5-3-2-4-6-13)10-11-7-8-12(14)9-11/h2-6,11-12H,7-10,14H2,1H3.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-N-methylaniline?
N-[(3-aminocyclopentyl)methyl]-N-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-N-methylaniline is sourced from PubChem (CID 66008204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).