1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine

C12H24IN — CID 134524444

IUPAC1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine
SMILESCC1CCCCCC(CNCI)[C@@H]1C
InChIInChI=1S/C12H24IN/c1-10-6-4-3-5-7-12(11(10)2)8-14-9-13/h10-12,14H,3-9H2,1-2H3/t10?,11-,12?/m1/s1
InChIKeyNZRIWYPMQKDJOZ-MOENNCHZSA-N
MW309.24 g/mol
LogP3.82
Rot. Bonds3

About 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine

1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine (PubChem CID 134524444) has the molecular formula C12H24IN and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine.

Molecular Properties

Compound Name1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine
PubChem CID134524444
Molecular FormulaC12H24IN
Molecular Weight309.24 g/mol
Exact Mass309.10
IUPAC Name1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine
SMILESCC1CCCCCC(CNCI)[C@@H]1C
InChIInChI=1S/C12H24IN/c1-10-6-4-3-5-7-12(11(10)2)8-14-9-13/h10-12,14H,3-9H2,1-2H3/t10?,11-,12?/m1/s1
InChIKeyNZRIWYPMQKDJOZ-MOENNCHZSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethylcycloheptane
CID 54005509
(2,3-dimethylcyclohexyl)methanol
CID 58590234
1-butyl-2,3-dimethylcycloheptane
CID 123688488
(2-methylcyclodecyl)methanamine
CID 163635360
1-(iodomethyl)-2-methylcyclopentane
CID 13296846
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
1-(2,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
CID 155722223
1-(2-methylcyclopentyl)-N-[(1-methylpiperidin-2-yl)methyl]methanamine
CID 107417066
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
N-[(2-methylcyclohexyl)methyl]-1-piperidin-4-ylmethanamine
CID 79708112
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine?
The IUPAC name of 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine (CID 134524444) is 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine.
What is the SMILES notation for 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine?
The canonical SMILES for 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine is CC1CCCCCC(CNCI)[C@@H]1C.
What is the InChIKey of 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine?
The InChIKey is NZRIWYPMQKDJOZ-MOENNCHZSA-N. The full InChI is InChI=1S/C12H24IN/c1-10-6-4-3-5-7-12(11(10)2)8-14-9-13/h10-12,14H,3-9H2,1-2H3/t10?,11-,12?/m1/s1.
What are the key properties of 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine?
1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine has a molecular weight of 309.24 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-dimethylcyclooctyl]-N-(iodomethyl)methanamine is sourced from PubChem (CID 134524444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).