1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine

C10H22INO — CID 107859361

IUPAC1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
SMILESCC(C)OCCNC(CI)C(C)C
InChIInChI=1S/C10H22INO/c1-8(2)10(7-11)12-5-6-13-9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyCIBNCHFBAXTMOI-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.46
Rot. Bonds7

About 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine

1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine (PubChem CID 107859361) has the molecular formula C10H22INO and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine.

Molecular Properties

Compound Name1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
PubChem CID107859361
Molecular FormulaC10H22INO
Molecular Weight299.20 g/mol
Exact Mass299.07
IUPAC Name1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
SMILESCC(C)OCCNC(CI)C(C)C
InChIInChI=1S/C10H22INO/c1-8(2)10(7-11)12-5-6-13-9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyCIBNCHFBAXTMOI-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.46
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-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490
1-iodo-N-[2-(4-methoxyphenoxy)ethyl]-3-methylbutan-2-amine
CID 107859425
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 104584711
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
1-iodo-3-methyl-N-prop-2-enylbutan-2-amine
CID 107859441
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104759381
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401
N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine?
The IUPAC name of 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine (CID 107859361) is 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine.
What is the SMILES notation for 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine?
The canonical SMILES for 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine is CC(C)OCCNC(CI)C(C)C.
What is the InChIKey of 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine?
The InChIKey is CIBNCHFBAXTMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INO/c1-8(2)10(7-11)12-5-6-13-9(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine?
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine has a molecular weight of 299.20 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine is sourced from PubChem (CID 107859361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).