(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine

C9H20IN — CID 155370446

IUPAC(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
SMILESCCNC[C@@](C)(I)C(C)(C)C
InChIInChI=1S/C9H20IN/c1-6-11-7-9(5,10)8(2,3)4/h11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyWNGGPWCRCMOWOT-SECBINFHSA-N
MW269.17 g/mol
LogP2.84
Rot. Bonds3

About (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine

(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine (PubChem CID 155370446) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
PubChem CID155370446
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Name(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
SMILESCCNC[C@@](C)(I)C(C)(C)C
InChIInChI=1S/C9H20IN/c1-6-11-7-9(5,10)8(2,3)4/h11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyWNGGPWCRCMOWOT-SECBINFHSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.84
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

N-ethyl-2,2-difluoro-2-iodoethanamine
CID 129161141
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
N-ethyl-2-methyl-2-(2-methylbutan-2-yloxy)propan-1-amine
CID 62353804
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003
1-(ethylamino)-2,5,5-trimethylhexan-2-ol
CID 66039846
1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one
CID 89032532

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine?
The IUPAC name of (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine (CID 155370446) is (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine is CCNC[C@@](C)(I)C(C)(C)C.
What is the InChIKey of (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine?
The InChIKey is WNGGPWCRCMOWOT-SECBINFHSA-N. The full InChI is InChI=1S/C9H20IN/c1-6-11-7-9(5,10)8(2,3)4/h11H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine?
(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine has a molecular weight of 269.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 155370446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).