1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane

C14H30N2O — CID 114944367

IUPAC1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane
SMILESCCOC(C)(C)CN1CCCNC(C(C)C)C1
InChIInChI=1S/C14H30N2O/c1-6-17-14(4,5)11-16-9-7-8-15-13(10-16)12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyVHNQJKIWSADKCH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane

1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane (PubChem CID 114944367) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane
PubChem CID114944367
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane
SMILESCCOC(C)(C)CN1CCCNC(C(C)C)C1
InChIInChI=1S/C14H30N2O/c1-6-17-14(4,5)11-16-9-7-8-15-13(10-16)12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyVHNQJKIWSADKCH-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-(2-methoxy-2-methylpropyl)-3-propan-2-ylpiperazine
CID 104766328
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
CID 106329785
1-(2-ethoxy-2-methylpropyl)-3-ethylpiperazine
CID 114944433
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
1-(2-ethoxy-2-methylpropyl)-N-ethylpiperidin-3-amine
CID 114944306
1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114127972
3-propan-2-yl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64856484
3-propan-2-yl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
CID 114264833
2-(2-ethoxy-2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114944355

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane (CID 114944367) is 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane is CCOC(C)(C)CN1CCCNC(C(C)C)C1.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is VHNQJKIWSADKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-17-14(4,5)11-16-9-7-8-15-13(10-16)12(2)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane?
1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 114944367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).