(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol

C9H20INO — CID 139437964

IUPAC(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol
SMILESC[C@H](CO)CCCCCN(C)I
InChIInChI=1S/C9H20INO/c1-9(8-12)6-4-3-5-7-11(2)10/h9,12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyQPHWTKYVHAATGW-VIFPVBQESA-N
MW285.17 g/mol
LogP2.46
Rot. Bonds7

About (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol

(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol (PubChem CID 139437964) has the molecular formula C9H20INO and a molecular weight of 285.17 g/mol. Its IUPAC name is (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol.

Molecular Properties

Compound Name(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol
PubChem CID139437964
Molecular FormulaC9H20INO
Molecular Weight285.17 g/mol
Exact Mass285.06
IUPAC Name(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol
SMILESC[C@H](CO)CCCCCN(C)I
InChIInChI=1S/C9H20INO/c1-9(8-12)6-4-3-5-7-11(2)10/h9,12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyQPHWTKYVHAATGW-VIFPVBQESA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethyloctane-1,8-diol
CID 11008425
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
N-iodo-N,4-dimethylpentan-1-amine
CID 147099385
CID 172712223
CID 172712223
2,6-dimethyldodecan-1-ol
CID 14392571
2-methyldec-8-en-1-ol
CID 151918594
6-iodo-2-methylheptan-1-ol
CID 167560507
N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
CID 155240108

Frequently Asked Questions

What is the IUPAC name of (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol?
The IUPAC name of (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol (CID 139437964) is (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol.
What is the SMILES notation for (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol?
The canonical SMILES for (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol is C[C@H](CO)CCCCCN(C)I.
What is the InChIKey of (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol?
The InChIKey is QPHWTKYVHAATGW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20INO/c1-9(8-12)6-4-3-5-7-11(2)10/h9,12H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol?
(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol has a molecular weight of 285.17 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 (2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol is sourced from PubChem (CID 139437964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).