3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane

C13H28N2 — CID 106329845

IUPAC3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
SMILESCCC1CN(C(C)(CC)CC)CCCN1
InChIInChI=1S/C13H28N2/c1-5-12-11-15(10-8-9-14-12)13(4,6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyOXNLMGDMHIOTHV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds4

About 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane

3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane (PubChem CID 106329845) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
PubChem CID106329845
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
SMILESCCC1CN(C(C)(CC)CC)CCCN1
InChIInChI=1S/C13H28N2/c1-5-12-11-15(10-8-9-14-12)13(4,6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyOXNLMGDMHIOTHV-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
CID 106329785
1-(3-methylpentan-3-yl)-3-propylpiperazine
CID 106329754
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole
CID 114129910
3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64954825
3-ethyl-1-pentan-3-yl-1,4-diazepane
CID 64943503
3-ethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64870707
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
3-benzyl-1-(3-ethylpentan-3-yl)-1,4-diazepane
CID 65043688
3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64871501

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
The IUPAC name of 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane (CID 106329845) is 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane is CCC1CN(C(C)(CC)CC)CCCN1.
What is the InChIKey of 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
The InChIKey is OXNLMGDMHIOTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-12-11-15(10-8-9-14-12)13(4,6-2)7-3/h12,14H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane has a molecular weight of 212.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane is sourced from PubChem (CID 106329845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).