N-(cyclobutylmethyl)-1-iodoethanamine

C7H14IN — CID 135131971

IUPACN-(cyclobutylmethyl)-1-iodoethanamine
SMILESCC(I)NCC1CCC1
InChIInChI=1S/C7H14IN/c1-6(8)9-5-7-3-2-4-7/h6-7,9H,2-5H2,1H3
InChIKeyOZFBYPYBDRMJMZ-UHFFFAOYSA-N
MW239.10 g/mol
LogP2.16
Rot. Bonds3

About N-(cyclobutylmethyl)-1-iodoethanamine

N-(cyclobutylmethyl)-1-iodoethanamine (PubChem CID 135131971) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-iodoethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-iodoethanamine
PubChem CID135131971
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC NameN-(cyclobutylmethyl)-1-iodoethanamine
SMILESCC(I)NCC1CCC1
InChIInChI=1S/C7H14IN/c1-6(8)9-5-7-3-2-4-7/h6-7,9H,2-5H2,1H3
InChIKeyOZFBYPYBDRMJMZ-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-iodoethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-iodoethanamine (CID 135131971) is N-(cyclobutylmethyl)-1-iodoethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-iodoethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-iodoethanamine is CC(I)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-1-iodoethanamine?
The InChIKey is OZFBYPYBDRMJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c1-6(8)9-5-7-3-2-4-7/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-iodoethanamine?
N-(cyclobutylmethyl)-1-iodoethanamine has a molecular weight of 239.10 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-iodoethanamine is sourced from PubChem (CID 135131971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).