6,6-dimethyl-2-propyl-1,4-diazepane

C10H22N2 — CID 67417881

IUPAC6,6-dimethyl-2-propyl-1,4-diazepane
SMILESCCCC1CNCC(C)(C)CN1
InChIInChI=1S/C10H22N2/c1-4-5-9-6-11-7-10(2,3)8-12-9/h9,11-12H,4-8H2,1-3H3
InChIKeyCHLHVNRVTIVAMS-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.37
Rot. Bonds2

About 6,6-dimethyl-2-propyl-1,4-diazepane

6,6-dimethyl-2-propyl-1,4-diazepane (PubChem CID 67417881) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 6,6-dimethyl-2-propyl-1,4-diazepane.

Molecular Properties

Compound Name6,6-dimethyl-2-propyl-1,4-diazepane
PubChem CID67417881
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name6,6-dimethyl-2-propyl-1,4-diazepane
SMILESCCCC1CNCC(C)(C)CN1
InChIInChI=1S/C10H22N2/c1-4-5-9-6-11-7-10(2,3)8-12-9/h9,11-12H,4-8H2,1-3H3
InChIKeyCHLHVNRVTIVAMS-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylaziridine
CID 544792
6-propyl-5-azaspiro[2.4]heptane
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1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine
CID 64838227
1-butyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 64839603
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
(2R)-2-butylpiperazine
CID 11182666
1-cycloheptyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 82937285
2-pentylaziridine
CID 19101061
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159
3,3-dimethyl-5-propylthiomorpholine
CID 66229002
2-octadecylpiperazine
CID 155671137

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propyl-1,4-diazepane?
The IUPAC name of 6,6-dimethyl-2-propyl-1,4-diazepane (CID 67417881) is 6,6-dimethyl-2-propyl-1,4-diazepane.
What is the SMILES notation for 6,6-dimethyl-2-propyl-1,4-diazepane?
The canonical SMILES for 6,6-dimethyl-2-propyl-1,4-diazepane is CCCC1CNCC(C)(C)CN1.
What is the InChIKey of 6,6-dimethyl-2-propyl-1,4-diazepane?
The InChIKey is CHLHVNRVTIVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-5-9-6-11-7-10(2,3)8-12-9/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-propyl-1,4-diazepane?
6,6-dimethyl-2-propyl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propyl-1,4-diazepane is sourced from PubChem (CID 67417881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).