(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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Related Compounds

1-tert-butylpiperazine;ethane;methane
CID 161367706
6-methyl-1,4-diazepane-1-carboxylic acid
CID 90022052
2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
CID 153358615
2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
CID 130979491
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686823
1-ethylsulfinyl-6-methyl-1,4-diazepane
CID 130948915
6-methyl-1-prop-2-ynyl-1,4-diazepane
CID 130948165
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
CID 158476670
6-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115521968

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).