(3R)-1-methyl-3-propan-2-yl-1,4-diazocane

C10H22N2 — CID 131122145

IUPAC(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
SMILESCC(C)[C@@H]1CN(C)CCCCN1
InChIInChI=1S/C10H22N2/c1-9(2)10-8-12(3)7-5-4-6-11-10/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyGXVIAZVMOBPBHJ-JTQLQIEISA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds1

About (3R)-1-methyl-3-propan-2-yl-1,4-diazocane

(3R)-1-methyl-3-propan-2-yl-1,4-diazocane (PubChem CID 131122145) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (3R)-1-methyl-3-propan-2-yl-1,4-diazocane.

Molecular Properties

Compound Name(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
PubChem CID131122145
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
SMILESCC(C)[C@@H]1CN(C)CCCCN1
InChIInChI=1S/C10H22N2/c1-9(2)10-8-12(3)7-5-4-6-11-10/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyGXVIAZVMOBPBHJ-JTQLQIEISA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-methyl-4-propan-2-ylimidazolidine
CID 139454022
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
(2S)-2-propan-2-ylpiperidine
CID 7022854
4-methyl-2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076926
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
CID 83879978
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852
1-(2-cyclohexylethyl)-3-propan-2-ylpiperazine
CID 64925108
1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 64950737

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-propan-2-yl-1,4-diazocane?
The IUPAC name of (3R)-1-methyl-3-propan-2-yl-1,4-diazocane (CID 131122145) is (3R)-1-methyl-3-propan-2-yl-1,4-diazocane.
What is the SMILES notation for (3R)-1-methyl-3-propan-2-yl-1,4-diazocane?
The canonical SMILES for (3R)-1-methyl-3-propan-2-yl-1,4-diazocane is CC(C)[C@@H]1CN(C)CCCCN1.
What is the InChIKey of (3R)-1-methyl-3-propan-2-yl-1,4-diazocane?
The InChIKey is GXVIAZVMOBPBHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)10-8-12(3)7-5-4-6-11-10/h9-11H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-1-methyl-3-propan-2-yl-1,4-diazocane?
(3R)-1-methyl-3-propan-2-yl-1,4-diazocane has a molecular weight of 170.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-propan-2-yl-1,4-diazocane is sourced from PubChem (CID 131122145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).