1-iodo-N,3-dimethylhexan-3-amine

C8H18IN — CID 139482959

IUPAC1-iodo-N,3-dimethylhexan-3-amine
SMILESCCCC(C)(CCI)NC
InChIInChI=1S/C8H18IN/c1-4-5-8(2,10-3)6-7-9/h10H,4-7H2,1-3H3
InChIKeySMQCMTREVVVOIA-UHFFFAOYSA-N
MW255.14 g/mol
LogP2.59
Rot. Bonds5

About 1-iodo-N,3-dimethylhexan-3-amine

1-iodo-N,3-dimethylhexan-3-amine (PubChem CID 139482959) has the molecular formula C8H18IN and a molecular weight of 255.14 g/mol. Its IUPAC name is 1-iodo-N,3-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-iodo-N,3-dimethylhexan-3-amine
PubChem CID139482959
Molecular FormulaC8H18IN
Molecular Weight255.14 g/mol
Exact Mass255.05
IUPAC Name1-iodo-N,3-dimethylhexan-3-amine
SMILESCCCC(C)(CCI)NC
InChIInChI=1S/C8H18IN/c1-4-5-8(2,10-3)6-7-9/h10H,4-7H2,1-3H3
InChIKeySMQCMTREVVVOIA-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 52.59
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,4-dimethylheptan-4-amine;ethane
CID 143105274
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
4-methylheptan-4-ylhydrazine
CID 23030896
1-[(2S)-2-methyl-2-(methylamino)pentyl]azetidin-3-ol
CID 67811622
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
N-tert-butyl-3-methylhexan-3-amine
CID 123793327
4-iodo-2-methyl-N-pentylbutan-2-amine
CID 130471180
3-methyl-3-(methylamino)octanoic acid
CID 80558530
3-N,2,3-trimethylhexane-2,3-diamine
CID 142608976
N-(4-methylheptan-4-yl)formamide
CID 54483706

Frequently Asked Questions

What is the IUPAC name of 1-iodo-N,3-dimethylhexan-3-amine?
The IUPAC name of 1-iodo-N,3-dimethylhexan-3-amine (CID 139482959) is 1-iodo-N,3-dimethylhexan-3-amine.
What is the SMILES notation for 1-iodo-N,3-dimethylhexan-3-amine?
The canonical SMILES for 1-iodo-N,3-dimethylhexan-3-amine is CCCC(C)(CCI)NC.
What is the InChIKey of 1-iodo-N,3-dimethylhexan-3-amine?
The InChIKey is SMQCMTREVVVOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18IN/c1-4-5-8(2,10-3)6-7-9/h10H,4-7H2,1-3H3.
What are the key properties of 1-iodo-N,3-dimethylhexan-3-amine?
1-iodo-N,3-dimethylhexan-3-amine has a molecular weight of 255.14 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N,3-dimethylhexan-3-amine is sourced from PubChem (CID 139482959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).