(3S)-1-iodo-5,5-dimethyloctan-3-amine

C10H22IN — CID 134254412

IUPAC(3S)-1-iodo-5,5-dimethyloctan-3-amine
SMILESCCCC(C)(C)C[C@H](N)CCI
InChIInChI=1S/C10H22IN/c1-4-6-10(2,3)8-9(12)5-7-11/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeySEOXTOPMLHWBFU-SECBINFHSA-N
MW283.20 g/mol
LogP3.36
Rot. Bonds6

About (3S)-1-iodo-5,5-dimethyloctan-3-amine

(3S)-1-iodo-5,5-dimethyloctan-3-amine (PubChem CID 134254412) has the molecular formula C10H22IN and a molecular weight of 283.20 g/mol. Its IUPAC name is (3S)-1-iodo-5,5-dimethyloctan-3-amine.

Molecular Properties

Compound Name(3S)-1-iodo-5,5-dimethyloctan-3-amine
PubChem CID134254412
Molecular FormulaC10H22IN
Molecular Weight283.20 g/mol
Exact Mass283.08
IUPAC Name(3S)-1-iodo-5,5-dimethyloctan-3-amine
SMILESCCCC(C)(C)C[C@H](N)CCI
InChIInChI=1S/C10H22IN/c1-4-6-10(2,3)8-9(12)5-7-11/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeySEOXTOPMLHWBFU-SECBINFHSA-N
XLogP3.36
TPSA26.02 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 ≤ 53.36
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

3,3-dimethylhexane-1,1-diamine
CID 88633791
1-iodohexan-3-amine
CID 126638870
3,5,5-trimethyloctan-2-amine
CID 123362443
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
3,3-dimethyl-1,1-bis(methylsulfanyl)hexane
CID 123662508
4,4,6,12-tetramethyloctadecane
CID 123154666
2-carbamoyl-4,4-dimethylheptanoic acid
CID 87260001
3,3-dimethylhexane
CID 11233
3,3,6,6-tetramethylnonan-5-amine
CID 89328233
15,15-dimethylnonacosan-10-amine
CID 175397632
3,5,5-trimethyloct-1-ene
CID 123557497
4,4-dimethylheptane;methane;4-methylheptane
CID 159758574

Frequently Asked Questions

What is the IUPAC name of (3S)-1-iodo-5,5-dimethyloctan-3-amine?
The IUPAC name of (3S)-1-iodo-5,5-dimethyloctan-3-amine (CID 134254412) is (3S)-1-iodo-5,5-dimethyloctan-3-amine.
What is the SMILES notation for (3S)-1-iodo-5,5-dimethyloctan-3-amine?
The canonical SMILES for (3S)-1-iodo-5,5-dimethyloctan-3-amine is CCCC(C)(C)C[C@H](N)CCI.
What is the InChIKey of (3S)-1-iodo-5,5-dimethyloctan-3-amine?
The InChIKey is SEOXTOPMLHWBFU-SECBINFHSA-N. The full InChI is InChI=1S/C10H22IN/c1-4-6-10(2,3)8-9(12)5-7-11/h9H,4-8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of (3S)-1-iodo-5,5-dimethyloctan-3-amine?
(3S)-1-iodo-5,5-dimethyloctan-3-amine has a molecular weight of 283.20 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-iodo-5,5-dimethyloctan-3-amine is sourced from PubChem (CID 134254412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).