N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline

C14H20IN — CID 79860481

IUPACN-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC1CCCC1(C)C
InChIInChI=1S/C14H20IN/c1-10-9-11(15)6-7-12(10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyLSLHWCDORILYNU-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.59
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline

N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline (PubChem CID 79860481) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
PubChem CID79860481
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC1CCCC1(C)C
InChIInChI=1S/C14H20IN/c1-10-9-11(15)6-7-12(10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyLSLHWCDORILYNU-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
N-(2,2-dimethylcyclobutyl)-2-methylaniline
CID 130532967
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591798
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
CID 79860379

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline (CID 79860481) is N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline is Cc1cc(I)ccc1NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline?
The InChIKey is LSLHWCDORILYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-10-9-11(15)6-7-12(10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline?
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline has a molecular weight of 329.23 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline is sourced from PubChem (CID 79860481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).