(2R)-2-tert-butyl-1-ethyl-1,4-diazepane

C11H24N2 — CID 176994090

IUPAC(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
SMILESCCN1CCCNC[C@H]1C(C)(C)C
InChIInChI=1S/C11H24N2/c1-5-13-8-6-7-12-9-10(13)11(2,3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVGCMHQIMPFJAAU-JTQLQIEISA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds1

About (2R)-2-tert-butyl-1-ethyl-1,4-diazepane

(2R)-2-tert-butyl-1-ethyl-1,4-diazepane (PubChem CID 176994090) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2R)-2-tert-butyl-1-ethyl-1,4-diazepane.

Molecular Properties

Compound Name(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
PubChem CID176994090
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
SMILESCCN1CCCNC[C@H]1C(C)(C)C
InChIInChI=1S/C11H24N2/c1-5-13-8-6-7-12-9-10(13)11(2,3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVGCMHQIMPFJAAU-JTQLQIEISA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-ethyl-2-methyl-1,4-diazepane
CID 92784931
2-tert-butyl-1,4-diazepane-1-carboxylic acid
CID 54024721
(1-ethyl-1,4-diazepan-2-yl)methanol
CID 82240889
2-tert-butyl-1-prop-2-enylpiperazine
CID 64833964
1-ethyl-2-pyridin-2-yl-1,4-diazepane
CID 82283196
2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
CID 115101625
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
1-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)-1,4-diazepane
CID 115101680
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
1-(1-ethylpiperidin-2-yl)-1,4-diazepane
CID 115100694
5-[(2-tert-butylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644815
O-[2-(1-ethylpyrrolidin-2-yl)propan-2-yl]hydroxylamine
CID 117104736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-1-ethyl-1,4-diazepane?
The IUPAC name of (2R)-2-tert-butyl-1-ethyl-1,4-diazepane (CID 176994090) is (2R)-2-tert-butyl-1-ethyl-1,4-diazepane.
What is the SMILES notation for (2R)-2-tert-butyl-1-ethyl-1,4-diazepane?
The canonical SMILES for (2R)-2-tert-butyl-1-ethyl-1,4-diazepane is CCN1CCCNC[C@H]1C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-1-ethyl-1,4-diazepane?
The InChIKey is VGCMHQIMPFJAAU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2/c1-5-13-8-6-7-12-9-10(13)11(2,3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-1-ethyl-1,4-diazepane?
(2R)-2-tert-butyl-1-ethyl-1,4-diazepane has a molecular weight of 184.33 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-1-ethyl-1,4-diazepane is sourced from PubChem (CID 176994090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).