N-(4-iodobutyl)oxolan-3-amine

C8H16INO — CID 106844615

IUPACN-(4-iodobutyl)oxolan-3-amine
SMILESICCCCNC1CCOC1
InChIInChI=1S/C8H16INO/c9-4-1-2-5-10-8-3-6-11-7-8/h8,10H,1-7H2
InChIKeyIWMYDFIRRDUUDE-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.58
Rot. Bonds5

About N-(4-iodobutyl)oxolan-3-amine

N-(4-iodobutyl)oxolan-3-amine (PubChem CID 106844615) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(4-iodobutyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-iodobutyl)oxolan-3-amine
PubChem CID106844615
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC NameN-(4-iodobutyl)oxolan-3-amine
SMILESICCCCNC1CCOC1
InChIInChI=1S/C8H16INO/c9-4-1-2-5-10-8-3-6-11-7-8/h8,10H,1-7H2
InChIKeyIWMYDFIRRDUUDE-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.58
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'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
CID 115689581
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
CID 167310676
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N'-hydroxy-4-(oxolan-3-ylamino)butanimidamide
CID 80713618
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium
CID 88554159
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)oxolan-3-amine?
The IUPAC name of N-(4-iodobutyl)oxolan-3-amine (CID 106844615) is N-(4-iodobutyl)oxolan-3-amine.
What is the SMILES notation for N-(4-iodobutyl)oxolan-3-amine?
The canonical SMILES for N-(4-iodobutyl)oxolan-3-amine is ICCCCNC1CCOC1.
What is the InChIKey of N-(4-iodobutyl)oxolan-3-amine?
The InChIKey is IWMYDFIRRDUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c9-4-1-2-5-10-8-3-6-11-7-8/h8,10H,1-7H2.
What are the key properties of N-(4-iodobutyl)oxolan-3-amine?
N-(4-iodobutyl)oxolan-3-amine has a molecular weight of 269.13 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)oxolan-3-amine is sourced from PubChem (CID 106844615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).