4-iodo-N-(3-methoxypropyl)butan-1-amine

C8H18INO — CID 106844640

IUPAC4-iodo-N-(3-methoxypropyl)butan-1-amine
SMILESCOCCCNCCCCI
InChIInChI=1S/C8H18INO/c1-11-8-4-7-10-6-3-2-5-9/h10H,2-8H2,1H3
InChIKeyCFZADSSFRUFPSX-UHFFFAOYSA-N
MW271.14 g/mol
LogP1.83
Rot. Bonds8

About 4-iodo-N-(3-methoxypropyl)butan-1-amine

4-iodo-N-(3-methoxypropyl)butan-1-amine (PubChem CID 106844640) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-iodo-N-(3-methoxypropyl)butan-1-amine.

Molecular Properties

Compound Name4-iodo-N-(3-methoxypropyl)butan-1-amine
PubChem CID106844640
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC Name4-iodo-N-(3-methoxypropyl)butan-1-amine
SMILESCOCCCNCCCCI
InChIInChI=1S/C8H18INO/c1-11-8-4-7-10-6-3-2-5-9/h10H,2-8H2,1H3
InChIKeyCFZADSSFRUFPSX-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-N-(2-methoxyethyl)hexan-1-amine
CID 107844777
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
12-iodo-N-propyldodecan-1-amine
CID 166998294
N-(4-iodobutyl)octan-1-amine
CID 106844597
3-(3-methoxypropylamino)propyl hydrogen sulfate
CID 153323846
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methoxypropyl)butan-1-amine?
The IUPAC name of 4-iodo-N-(3-methoxypropyl)butan-1-amine (CID 106844640) is 4-iodo-N-(3-methoxypropyl)butan-1-amine.
What is the SMILES notation for 4-iodo-N-(3-methoxypropyl)butan-1-amine?
The canonical SMILES for 4-iodo-N-(3-methoxypropyl)butan-1-amine is COCCCNCCCCI.
What is the InChIKey of 4-iodo-N-(3-methoxypropyl)butan-1-amine?
The InChIKey is CFZADSSFRUFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18INO/c1-11-8-4-7-10-6-3-2-5-9/h10H,2-8H2,1H3.
What are the key properties of 4-iodo-N-(3-methoxypropyl)butan-1-amine?
4-iodo-N-(3-methoxypropyl)butan-1-amine has a molecular weight of 271.14 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methoxypropyl)butan-1-amine is sourced from PubChem (CID 106844640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).