[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine

C8H16I2N2 — CID 19897960

IUPAC[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
SMILESNCC1(CN)CCCCC1(I)I
InChIInChI=1S/C8H16I2N2/c9-8(10)4-2-1-3-7(8,5-11)6-12/h1-6,11-12H2
InChIKeyMDGKNLDQNKUJJK-UHFFFAOYSA-N
MW394.04 g/mol
LogP2.03
Rot. Bonds2

About [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine

[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine (PubChem CID 19897960) has the molecular formula C8H16I2N2 and a molecular weight of 394.04 g/mol. Its IUPAC name is [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
PubChem CID19897960
Molecular FormulaC8H16I2N2
Molecular Weight394.04 g/mol
Exact Mass393.94
IUPAC Name[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
SMILESNCC1(CN)CCCCC1(I)I
InChIInChI=1S/C8H16I2N2/c9-8(10)4-2-1-3-7(8,5-11)6-12/h1-6,11-12H2
InChIKeyMDGKNLDQNKUJJK-UHFFFAOYSA-N
XLogP2.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.04
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(aminomethyl)cyclohexane-1,1-diamine
CID 67262117
1-(aminomethyl)-2,2-diiodocyclopentan-1-amine
CID 88689644
2,2-diiodocyclohexane-1,1-diamine
CID 174265228
(1-methylcyclooctyl)methanamine
CID 80603984
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine
CID 68739117
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanamine
CID 105439345
1-iodocyclotridecan-1-amine
CID 134396656
[2-(aminomethyl)dispiro[2.2.46.23]dodecan-2-yl]methanol
CID 114820248
[1-(aminomethyl)cyclopentyl]methanethiol
CID 83678920
[1-(2-fluoropropan-2-yl)cyclohexyl]methanamine
CID 83816490
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine?
The IUPAC name of [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine (CID 19897960) is [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine.
What is the SMILES notation for [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine?
The canonical SMILES for [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine is NCC1(CN)CCCCC1(I)I.
What is the InChIKey of [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine?
The InChIKey is MDGKNLDQNKUJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2N2/c9-8(10)4-2-1-3-7(8,5-11)6-12/h1-6,11-12H2.
What are the key properties of [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine?
[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine has a molecular weight of 394.04 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine is sourced from PubChem (CID 19897960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).