(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane

C13H28N2 — CID 153291285

IUPAC(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC[C@@H]1CN(C(C)C)CCCN1C(C)C
InChIInChI=1S/C13H28N2/c1-6-13-10-14(11(2)3)8-7-9-15(13)12(4)5/h11-13H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyGATBBKXCQMYQAJ-CYBMUJFWSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds3

About (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane

(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane (PubChem CID 153291285) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
PubChem CID153291285
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC[C@@H]1CN(C(C)C)CCCN1C(C)C
InChIInChI=1S/C13H28N2/c1-6-13-10-14(11(2)3)8-7-9-15(13)12(4)5/h11-13H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyGATBBKXCQMYQAJ-CYBMUJFWSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
CID 169016330
2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine
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2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
1-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane?
The IUPAC name of (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane (CID 153291285) is (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane.
What is the SMILES notation for (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane?
The canonical SMILES for (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane is CC[C@@H]1CN(C(C)C)CCCN1C(C)C.
What is the InChIKey of (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane?
The InChIKey is GATBBKXCQMYQAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-13-10-14(11(2)3)8-7-9-15(13)12(4)5/h11-13H,6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane?
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane has a molecular weight of 212.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane is sourced from PubChem (CID 153291285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).