(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane

C11H24N2 — CID 176748171

IUPAC(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CC[C@@H](C)N(C)[C@H](C)C1
InChIInChI=1S/C11H24N2/c1-9(2)13-7-6-10(3)12(5)11(4)8-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyZMCBKWHCNIMQLY-GHMZBOCLSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds1

About (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane

(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane (PubChem CID 176748171) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
PubChem CID176748171
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CC[C@@H](C)N(C)[C@H](C)C1
InChIInChI=1S/C11H24N2/c1-9(2)13-7-6-10(3)12(5)11(4)8-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyZMCBKWHCNIMQLY-GHMZBOCLSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158704033
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(2R)-2-methyl-4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 169054191
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176763978
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
3-propan-2-yl-3-azabicyclo[4.3.1]decane
CID 121313326

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane?
The IUPAC name of (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane (CID 176748171) is (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane.
What is the SMILES notation for (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane?
The canonical SMILES for (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane is CC(C)N1CC[C@@H](C)N(C)[C@H](C)C1.
What is the InChIKey of (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane?
The InChIKey is ZMCBKWHCNIMQLY-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)13-7-6-10(3)12(5)11(4)8-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane?
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane has a molecular weight of 184.33 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 176748171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).