4-(iodomethoxy)-N-methylbutan-1-amine

C6H14INO — CID 174282514

IUPAC4-(iodomethoxy)-N-methylbutan-1-amine
SMILESCNCCCCOCI
InChIInChI=1S/C6H14INO/c1-8-4-2-3-5-9-6-7/h8H,2-6H2,1H3
InChIKeyGGCFISHKIQESIL-UHFFFAOYSA-N
MW243.09 g/mol
LogP1.40
Rot. Bonds6

About 4-(iodomethoxy)-N-methylbutan-1-amine

4-(iodomethoxy)-N-methylbutan-1-amine (PubChem CID 174282514) has the molecular formula C6H14INO and a molecular weight of 243.09 g/mol. Its IUPAC name is 4-(iodomethoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(iodomethoxy)-N-methylbutan-1-amine
PubChem CID174282514
Molecular FormulaC6H14INO
Molecular Weight243.09 g/mol
Exact Mass243.01
IUPAC Name4-(iodomethoxy)-N-methylbutan-1-amine
SMILESCNCCCCOCI
InChIInChI=1S/C6H14INO/c1-8-4-2-3-5-9-6-7/h8H,2-6H2,1H3
InChIKeyGGCFISHKIQESIL-UHFFFAOYSA-N
XLogP1.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 51.40
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

N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
N-methyl-4-prop-2-enoxybutan-1-amine
CID 62442443
1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
4-iodo-N-methylbutan-1-amine
CID 88529413
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
1-[4-(methylamino)butoxy]propan-2-one
CID 155218362
3-[11-(methylamino)undecoxy]propanoic acid
CID 118279821
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
3-iodo-N-methylpropan-1-amine;hydrochloride
CID 86252305

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethoxy)-N-methylbutan-1-amine?
The IUPAC name of 4-(iodomethoxy)-N-methylbutan-1-amine (CID 174282514) is 4-(iodomethoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(iodomethoxy)-N-methylbutan-1-amine?
The canonical SMILES for 4-(iodomethoxy)-N-methylbutan-1-amine is CNCCCCOCI.
What is the InChIKey of 4-(iodomethoxy)-N-methylbutan-1-amine?
The InChIKey is GGCFISHKIQESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14INO/c1-8-4-2-3-5-9-6-7/h8H,2-6H2,1H3.
What are the key properties of 4-(iodomethoxy)-N-methylbutan-1-amine?
4-(iodomethoxy)-N-methylbutan-1-amine has a molecular weight of 243.09 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 174282514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).