3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane

C14H30N2 — CID 64944716

IUPAC3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane
SMILESCCC1(C)CN(C(C)CC(C)C)CCCN1
InChIInChI=1S/C14H30N2/c1-6-14(5)11-16(9-7-8-15-14)13(4)10-12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyIEUKYQPLEHBGAD-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane

3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane (PubChem CID 64944716) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane
PubChem CID64944716
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane
SMILESCCC1(C)CN(C(C)CC(C)C)CCCN1
InChIInChI=1S/C14H30N2/c1-6-14(5)11-16(9-7-8-15-14)13(4)10-12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyIEUKYQPLEHBGAD-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3-methyl-1-(4-methylpentan-2-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-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole
CID 64951418
3-ethyl-3-methyl-1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 64944972
1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
CID 3064078
3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
CID 64948758
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
CID 64943236
3-ethyl-1-(4-methylpentan-2-yl)-1,4-diazepane
CID 64944715
3-ethyl-1-(3-ethylpentan-3-yl)-3-methyl-1,4-diazepane
CID 65043448
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane
CID 64951209
1-(3-butan-2-yloxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64949965
1,4-bis(4-methylpentan-2-yl)piperazine
CID 3064079
3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
CID 64926626

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane?
The IUPAC name of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane (CID 64944716) is 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane is CCC1(C)CN(C(C)CC(C)C)CCCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane?
The InChIKey is IEUKYQPLEHBGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(5)11-16(9-7-8-15-14)13(4)10-12(2)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane?
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane is sourced from PubChem (CID 64944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).