(6R)-6-iodo-6-N-methylheptane-1,6-diamine

C8H19IN2 — CID 118671196

IUPAC(6R)-6-iodo-6-N-methylheptane-1,6-diamine
SMILESCN[C@](C)(I)CCCCCN
InChIInChI=1S/C8H19IN2/c1-8(9,11-2)6-4-3-5-7-10/h11H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyWVAHTBGDEQSJAW-QMMMGPOBSA-N
MW270.16 g/mol
LogP1.88
Rot. Bonds6

About (6R)-6-iodo-6-N-methylheptane-1,6-diamine

(6R)-6-iodo-6-N-methylheptane-1,6-diamine (PubChem CID 118671196) has the molecular formula C8H19IN2 and a molecular weight of 270.16 g/mol. Its IUPAC name is (6R)-6-iodo-6-N-methylheptane-1,6-diamine.

Molecular Properties

Compound Name(6R)-6-iodo-6-N-methylheptane-1,6-diamine
PubChem CID118671196
Molecular FormulaC8H19IN2
Molecular Weight270.16 g/mol
Exact Mass270.06
IUPAC Name(6R)-6-iodo-6-N-methylheptane-1,6-diamine
SMILESCN[C@](C)(I)CCCCCN
InChIInChI=1S/C8H19IN2/c1-8(9,11-2)6-4-3-5-7-10/h11H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyWVAHTBGDEQSJAW-QMMMGPOBSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine
CID 53249240
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
CID 160729242
CID 160729242
13-iodo-7,7-dimethyltridecan-1-amine
CID 89328032
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
hexane-1,5,5-triamine
CID 23298659
11-methyldodecane-1,11-diamine;propane
CID 145179809
hexane-1,6-diamine;methanamine
CID 174275715
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of (6R)-6-iodo-6-N-methylheptane-1,6-diamine?
The IUPAC name of (6R)-6-iodo-6-N-methylheptane-1,6-diamine (CID 118671196) is (6R)-6-iodo-6-N-methylheptane-1,6-diamine.
What is the SMILES notation for (6R)-6-iodo-6-N-methylheptane-1,6-diamine?
The canonical SMILES for (6R)-6-iodo-6-N-methylheptane-1,6-diamine is CN[C@](C)(I)CCCCCN.
What is the InChIKey of (6R)-6-iodo-6-N-methylheptane-1,6-diamine?
The InChIKey is WVAHTBGDEQSJAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19IN2/c1-8(9,11-2)6-4-3-5-7-10/h11H,3-7,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (6R)-6-iodo-6-N-methylheptane-1,6-diamine?
(6R)-6-iodo-6-N-methylheptane-1,6-diamine has a molecular weight of 270.16 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-iodo-6-N-methylheptane-1,6-diamine is sourced from PubChem (CID 118671196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).