7-iodo-5,5-dimethyl-1,4-diazepane

C7H15IN2 — CID 144511430

IUPAC7-iodo-5,5-dimethyl-1,4-diazepane
SMILESCC1(C)CC(I)NCCN1
InChIInChI=1S/C7H15IN2/c1-7(2)5-6(8)9-3-4-10-7/h6,9-10H,3-5H2,1-2H3
InChIKeySSUUFANJJHCFBP-UHFFFAOYSA-N
MW254.11 g/mol
LogP1.11
Rot. Bonds

About 7-iodo-5,5-dimethyl-1,4-diazepane

7-iodo-5,5-dimethyl-1,4-diazepane (PubChem CID 144511430) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 7-iodo-5,5-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name7-iodo-5,5-dimethyl-1,4-diazepane
PubChem CID144511430
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Name7-iodo-5,5-dimethyl-1,4-diazepane
SMILESCC1(C)CC(I)NCCN1
InChIInChI=1S/C7H15IN2/c1-7(2)5-6(8)9-3-4-10-7/h6,9-10H,3-5H2,1-2H3
InChIKeySSUUFANJJHCFBP-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl-
CID 30155
2,2,7,7-Tetramethyl-1,4-diazepane
CID 12204035
6-Amino-6-methylperhydro-1,4-diazepine
CID 18436453
1-Fluoro-2-iodo-2,6-dimethyl-1,4-diazepane
CID 142886846
5,5-Dimethyl-1,4-diazepane
CID 23090559
6-Ethyl-1,4-diazepan-6-amine
CID 59136550
1,7,7-Trimethyl-1,4-diazepane
CID 84107054
1,5,5-Trimethyl-1,4-diazepane
CID 117023711
1-Ethyl-5,5-dimethyl-1,4-diazepane
CID 117023712
2-(2-Iodoethyl)-1,4-diazepane
CID 126661852
2,5,5-Trimethyl-1,4-diazepane
CID 141841663
5-Iodo-5-methyl-1,4-diazepane
CID 143260157

Frequently Asked Questions

What is the IUPAC name of 7-iodo-5,5-dimethyl-1,4-diazepane?
The IUPAC name of 7-iodo-5,5-dimethyl-1,4-diazepane (CID 144511430) is 7-iodo-5,5-dimethyl-1,4-diazepane.
What is the SMILES notation for 7-iodo-5,5-dimethyl-1,4-diazepane?
The canonical SMILES for 7-iodo-5,5-dimethyl-1,4-diazepane is CC1(C)CC(I)NCCN1.
What is the InChIKey of 7-iodo-5,5-dimethyl-1,4-diazepane?
The InChIKey is SSUUFANJJHCFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2/c1-7(2)5-6(8)9-3-4-10-7/h6,9-10H,3-5H2,1-2H3.
What are the key properties of 7-iodo-5,5-dimethyl-1,4-diazepane?
7-iodo-5,5-dimethyl-1,4-diazepane has a molecular weight of 254.11 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-5,5-dimethyl-1,4-diazepane is sourced from PubChem (CID 144511430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).