N-ethyl-2-iodopentan-1-amine

C7H16IN — CID 163909587

IUPACN-ethyl-2-iodopentan-1-amine
SMILESCCCC(I)CNCC
InChIInChI=1S/C7H16IN/c1-3-5-7(8)6-9-4-2/h7,9H,3-6H2,1-2H3
InChIKeyQQYBLKCNLXPJGU-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-2-iodopentan-1-amine

N-ethyl-2-iodopentan-1-amine (PubChem CID 163909587) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is N-ethyl-2-iodopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-iodopentan-1-amine
PubChem CID163909587
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC NameN-ethyl-2-iodopentan-1-amine
SMILESCCCC(I)CNCC
InChIInChI=1S/C7H16IN/c1-3-5-7(8)6-9-4-2/h7,9H,3-6H2,1-2H3
InChIKeyQQYBLKCNLXPJGU-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.20
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodopentan-1-amine?
The IUPAC name of N-ethyl-2-iodopentan-1-amine (CID 163909587) is N-ethyl-2-iodopentan-1-amine.
What is the SMILES notation for N-ethyl-2-iodopentan-1-amine?
The canonical SMILES for N-ethyl-2-iodopentan-1-amine is CCCC(I)CNCC.
What is the InChIKey of N-ethyl-2-iodopentan-1-amine?
The InChIKey is QQYBLKCNLXPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-3-5-7(8)6-9-4-2/h7,9H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-iodopentan-1-amine?
N-ethyl-2-iodopentan-1-amine has a molecular weight of 241.12 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodopentan-1-amine is sourced from PubChem (CID 163909587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).