1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine

C10H22IN — CID 107859500

IUPAC1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine
SMILESCCC(CC)NC(CI)C(C)C
InChIInChI=1S/C10H22IN/c1-5-9(6-2)12-10(7-11)8(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyXIFLJIAUYOWOBA-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.22
Rot. Bonds6

About 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine

1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine (PubChem CID 107859500) has the molecular formula C10H22IN and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine
PubChem CID107859500
Molecular FormulaC10H22IN
Molecular Weight283.20 g/mol
Exact Mass283.08
IUPAC Name1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine
SMILESCCC(CC)NC(CI)C(C)C
InChIInChI=1S/C10H22IN/c1-5-9(6-2)12-10(7-11)8(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyXIFLJIAUYOWOBA-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.22
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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Related Compounds

1-iodo-3-methyl-N-pentan-2-ylbutan-2-amine
CID 107887699
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
propane;N-propan-2-ylpentan-3-amine
CID 144761250
N-(1-iodo-3-methylbutan-2-yl)propanamide
CID 107860016
1-(pentan-3-ylamino)ethanol
CID 18004281
3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile
CID 106349487
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
1-iodo-3-methyl-N-prop-2-enylbutan-2-amine
CID 107859441
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
CID 79250546
1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
CID 43792413
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 107859361
N-pentan-3-ylhexan-3-amine
CID 62118915

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine?
The IUPAC name of 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine (CID 107859500) is 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine.
What is the SMILES notation for 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine?
The canonical SMILES for 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine is CCC(CC)NC(CI)C(C)C.
What is the InChIKey of 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine?
The InChIKey is XIFLJIAUYOWOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22IN/c1-5-9(6-2)12-10(7-11)8(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine?
1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine has a molecular weight of 283.20 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-N-pentan-3-ylbutan-2-amine is sourced from PubChem (CID 107859500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).