N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine

C10H23IN2 — CID 139443800

IUPACN-iodo-N',2,2,5-tetramethylhexane-1,6-diamine
SMILESCNCC(C)CCC(C)(C)CNI
InChIInChI=1S/C10H23IN2/c1-9(7-12-4)5-6-10(2,3)8-13-11/h9,12-13H,5-8H2,1-4H3
InChIKeyBGISLJAQACTWPT-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.59
Rot. Bonds7

About N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine

N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine (PubChem CID 139443800) has the molecular formula C10H23IN2 and a molecular weight of 298.21 g/mol. Its IUPAC name is N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine.

Molecular Properties

Compound NameN-iodo-N',2,2,5-tetramethylhexane-1,6-diamine
PubChem CID139443800
Molecular FormulaC10H23IN2
Molecular Weight298.21 g/mol
Exact Mass298.09
IUPAC NameN-iodo-N',2,2,5-tetramethylhexane-1,6-diamine
SMILESCNCC(C)CCC(C)(C)CNI
InChIInChI=1S/C10H23IN2/c1-9(7-12-4)5-6-10(2,3)8-13-11/h9,12-13H,5-8H2,1-4H3
InChIKeyBGISLJAQACTWPT-UHFFFAOYSA-N
XLogP2.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine?
The IUPAC name of N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine (CID 139443800) is N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine.
What is the SMILES notation for N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine?
The canonical SMILES for N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine is CNCC(C)CCC(C)(C)CNI.
What is the InChIKey of N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine?
The InChIKey is BGISLJAQACTWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23IN2/c1-9(7-12-4)5-6-10(2,3)8-13-11/h9,12-13H,5-8H2,1-4H3.
What are the key properties of N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine?
N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine has a molecular weight of 298.21 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine is sourced from PubChem (CID 139443800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).