1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine

C14H21IN2 — CID 79860905

IUPAC1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
SMILESCC1(C)CCCCC1Nc1ccc(N)cc1I
InChIInChI=1S/C14H21IN2/c1-14(2)8-4-3-5-13(14)17-12-7-6-10(16)9-11(12)15/h6-7,9,13,17H,3-5,8,16H2,1-2H3
InChIKeyPRJROVPZSYDMTC-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.25
Rot. Bonds2

About 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine

1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine (PubChem CID 79860905) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
PubChem CID79860905
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
SMILESCC1(C)CCCCC1Nc1ccc(N)cc1I
InChIInChI=1S/C14H21IN2/c1-14(2)8-4-3-5-13(14)17-12-7-6-10(16)9-11(12)15/h6-7,9,13,17H,3-5,8,16H2,1-2H3
InChIKeyPRJROVPZSYDMTC-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.25
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

1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 79866956
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
CID 79861490
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 79861884
3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine
CID 104540565
4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 79861244
2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
CID 79892885
5-N-(2,2-dimethylcyclohexyl)isoquinoline-5,8-diamine
CID 79861810

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine (CID 79860905) is 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine is CC1(C)CCCCC1Nc1ccc(N)cc1I.
What is the InChIKey of 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine?
The InChIKey is PRJROVPZSYDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-14(2)8-4-3-5-13(14)17-12-7-6-10(16)9-11(12)15/h6-7,9,13,17H,3-5,8,16H2,1-2H3.
What are the key properties of 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine?
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine has a molecular weight of 344.24 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 79860905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).