(6S)-1-tert-butyl-6-methyl-1,4-diazepane

C10H22N2 — CID 94238222

IUPAC(6S)-1-tert-butyl-6-methyl-1,4-diazepane
SMILESC[C@H]1CNCCN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-9-7-11-5-6-12(8-9)10(2,3)4/h9,11H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyQZDWZRXIDIIIFN-VIFPVBQESA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds

About (6S)-1-tert-butyl-6-methyl-1,4-diazepane

(6S)-1-tert-butyl-6-methyl-1,4-diazepane (PubChem CID 94238222) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (6S)-1-tert-butyl-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name(6S)-1-tert-butyl-6-methyl-1,4-diazepane
PubChem CID94238222
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(6S)-1-tert-butyl-6-methyl-1,4-diazepane
SMILESC[C@H]1CNCCN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-9-7-11-5-6-12(8-9)10(2,3)4/h9,11H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyQZDWZRXIDIIIFN-VIFPVBQESA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-tert-butyl-6-methyl-1,4-diazepane?
The IUPAC name of (6S)-1-tert-butyl-6-methyl-1,4-diazepane (CID 94238222) is (6S)-1-tert-butyl-6-methyl-1,4-diazepane.
What is the SMILES notation for (6S)-1-tert-butyl-6-methyl-1,4-diazepane?
The canonical SMILES for (6S)-1-tert-butyl-6-methyl-1,4-diazepane is C[C@H]1CNCCN(C(C)(C)C)C1.
What is the InChIKey of (6S)-1-tert-butyl-6-methyl-1,4-diazepane?
The InChIKey is QZDWZRXIDIIIFN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2/c1-9-7-11-5-6-12(8-9)10(2,3)4/h9,11H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (6S)-1-tert-butyl-6-methyl-1,4-diazepane?
(6S)-1-tert-butyl-6-methyl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-tert-butyl-6-methyl-1,4-diazepane is sourced from PubChem (CID 94238222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).