N-cyclopentyl-2-iodoaniline;2-iodoaniline

C17H20I2N2 — CID 159046198

IUPACN-cyclopentyl-2-iodoaniline;2-iodoaniline
SMILESIc1ccccc1NC1CCCC1.Nc1ccccc1I
InChIInChI=1S/C11H14IN.C6H6IN/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;7-5-3-1-2-4-6(5)8/h3-4,7-9,13H,1-2,5-6H2;1-4H,8H2
InChIKeyJWRMFWNACBYOQJ-UHFFFAOYSA-N
MW506.17 g/mol
LogP5.52
Rot. Bonds2

About N-cyclopentyl-2-iodoaniline;2-iodoaniline

N-cyclopentyl-2-iodoaniline;2-iodoaniline (PubChem CID 159046198) has the molecular formula C17H20I2N2 and a molecular weight of 506.17 g/mol. Its IUPAC name is N-cyclopentyl-2-iodoaniline;2-iodoaniline.

Molecular Properties

Compound NameN-cyclopentyl-2-iodoaniline;2-iodoaniline
PubChem CID159046198
Molecular FormulaC17H20I2N2
Molecular Weight506.17 g/mol
Exact Mass505.97
IUPAC NameN-cyclopentyl-2-iodoaniline;2-iodoaniline
SMILESIc1ccccc1NC1CCCC1.Nc1ccccc1I
InChIInChI=1S/C11H14IN.C6H6IN/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;7-5-3-1-2-4-6(5)8/h3-4,7-9,13H,1-2,5-6H2;1-4H,8H2
InChIKeyJWRMFWNACBYOQJ-UHFFFAOYSA-N
XLogP5.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.17
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43773476
N-(2-iodophenyl)-1-methylazepan-4-amine
CID 65071250
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
2-iodo-N-(4-propylcyclohexyl)aniline
CID 28977854
trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol
CID 139447618
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
2-iodo-N-(3-phenylcyclobutyl)aniline
CID 43632290
N-cyclohexyl-2-cyclooctylaniline
CID 155278581
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-iodoaniline;2-iodoaniline?
The IUPAC name of N-cyclopentyl-2-iodoaniline;2-iodoaniline (CID 159046198) is N-cyclopentyl-2-iodoaniline;2-iodoaniline.
What is the SMILES notation for N-cyclopentyl-2-iodoaniline;2-iodoaniline?
The canonical SMILES for N-cyclopentyl-2-iodoaniline;2-iodoaniline is Ic1ccccc1NC1CCCC1.Nc1ccccc1I.
What is the InChIKey of N-cyclopentyl-2-iodoaniline;2-iodoaniline?
The InChIKey is JWRMFWNACBYOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN.C6H6IN/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;7-5-3-1-2-4-6(5)8/h3-4,7-9,13H,1-2,5-6H2;1-4H,8H2.
What are the key properties of N-cyclopentyl-2-iodoaniline;2-iodoaniline?
N-cyclopentyl-2-iodoaniline;2-iodoaniline has a molecular weight of 506.17 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-iodoaniline;2-iodoaniline is sourced from PubChem (CID 159046198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).