4-imino-N-iodocyclohexan-1-amine

C6H11IN2 — CID 88963580

IUPAC4-imino-N-iodocyclohexan-1-amine
SMILES[H]N=C1CCC(NI)CC1
InChIInChI=1S/C6H11IN2/c7-9-6-3-1-5(8)2-4-6/h6,8-9H,1-4H2/b8-5-
InChIKeyMGDBSKWQBINCEN-YVMONPNESA-N
MW238.07 g/mol
LogP1.89
Rot. Bonds1

About 4-imino-N-iodocyclohexan-1-amine

4-imino-N-iodocyclohexan-1-amine (PubChem CID 88963580) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 4-imino-N-iodocyclohexan-1-amine.

Molecular Properties

Compound Name4-imino-N-iodocyclohexan-1-amine
PubChem CID88963580
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name4-imino-N-iodocyclohexan-1-amine
SMILES[H]N=C1CCC(NI)CC1
InChIInChI=1S/C6H11IN2/c7-9-6-3-1-5(8)2-4-6/h6,8-9H,1-4H2/b8-5-
InChIKeyMGDBSKWQBINCEN-YVMONPNESA-N
XLogP1.89
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-Iminocyclohexan-1-amine
CID 23599757
3-Iminocyclohexan-1-amine
CID 54522062
[(4-Aminocyclohexylidene)amino] hypofluorite
CID 142872847
(NE)-N-(2-aminocyclohexylidene)hydroxylamine
CID 13050725
(NZ)-N-(2-aminocyclohexylidene)hydroxylamine
CID 20451939
4-Iminocyclohexan-1-amine
CID 57170566
2-Iminocyclohexane-1,3-diamine
CID 57224131
4-Methyliminocyclohexan-1-amine
CID 57675138
N-(4-aminocyclohexylidene)hydroxylamine
CID 57675156
(1R)-2-iminocyclohexan-1-amine
CID 58595899
N-(2-Aminocyclohexylidene)hydroxylamine
CID 58684318
2,3-Diiminocyclohexan-1-amine
CID 88990706

Frequently Asked Questions

What is the IUPAC name of 4-imino-N-iodocyclohexan-1-amine?
The IUPAC name of 4-imino-N-iodocyclohexan-1-amine (CID 88963580) is 4-imino-N-iodocyclohexan-1-amine.
What is the SMILES notation for 4-imino-N-iodocyclohexan-1-amine?
The canonical SMILES for 4-imino-N-iodocyclohexan-1-amine is [H]N=C1CCC(NI)CC1.
What is the InChIKey of 4-imino-N-iodocyclohexan-1-amine?
The InChIKey is MGDBSKWQBINCEN-YVMONPNESA-N. The full InChI is InChI=1S/C6H11IN2/c7-9-6-3-1-5(8)2-4-6/h6,8-9H,1-4H2/b8-5-.
What are the key properties of 4-imino-N-iodocyclohexan-1-amine?
4-imino-N-iodocyclohexan-1-amine has a molecular weight of 238.07 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-iodocyclohexan-1-amine is sourced from PubChem (CID 88963580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).