N,N-diethylethanamine;1-iodopropane

C9H22IN — CID 91479999

IUPACN,N-diethylethanamine;1-iodopropane
SMILESCCCI.CCN(CC)CC
InChIInChI=1S/C6H15N.C3H7I/c1-4-7(5-2)6-3;1-2-3-4/h4-6H2,1-3H3;2-3H2,1H3
InChIKeyVGTCEJPDJVFIOG-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.18
Rot. Bonds4

About N,N-diethylethanamine;1-iodopropane

N,N-diethylethanamine;1-iodopropane (PubChem CID 91479999) has the molecular formula C9H22IN and a molecular weight of 271.19 g/mol. Its IUPAC name is N,N-diethylethanamine;1-iodopropane.

Molecular Properties

Compound NameN,N-diethylethanamine;1-iodopropane
PubChem CID91479999
Molecular FormulaC9H22IN
Molecular Weight271.19 g/mol
Exact Mass271.08
IUPAC NameN,N-diethylethanamine;1-iodopropane
SMILESCCCI.CCN(CC)CC
InChIInChI=1S/C6H15N.C3H7I/c1-4-7(5-2)6-3;1-2-3-4/h4-6H2,1-3H3;2-3H2,1H3
InChIKeyVGTCEJPDJVFIOG-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.18
H-Bond Donors ≤ 50
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,N-diethylethanamine;1-iodopropane?
The IUPAC name of N,N-diethylethanamine;1-iodopropane (CID 91479999) is N,N-diethylethanamine;1-iodopropane.
What is the SMILES notation for N,N-diethylethanamine;1-iodopropane?
The canonical SMILES for N,N-diethylethanamine;1-iodopropane is CCCI.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;1-iodopropane?
The InChIKey is VGTCEJPDJVFIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H7I/c1-4-7(5-2)6-3;1-2-3-4/h4-6H2,1-3H3;2-3H2,1H3.
What are the key properties of N,N-diethylethanamine;1-iodopropane?
N,N-diethylethanamine;1-iodopropane has a molecular weight of 271.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1-iodopropane is sourced from PubChem (CID 91479999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).