(2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine

C12H22N2 — CID 167486385

IUPAC(2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine
SMILESCC1CC/C=N/C(C(C)C)=C\NCC1
InChIInChI=1S/C12H22N2/c1-10(2)12-9-13-8-6-11(3)5-4-7-14-12/h7,9-11,13H,4-6,8H2,1-3H3/b12-9-,14-7+
InChIKeyFMYYOVNKTVKPIP-AAVCTYAVSA-N
MW194.32 g/mol
LogP2.96
Rot. Bonds1

About (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine

(2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine (PubChem CID 167486385) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine.

Molecular Properties

Compound Name(2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine
PubChem CID167486385
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine
SMILESCC1CC/C=N/C(C(C)C)=C\NCC1
InChIInChI=1S/C12H22N2/c1-10(2)12-9-13-8-6-11(3)5-4-7-14-12/h7,9-11,13H,4-6,8H2,1-3H3/b12-9-,14-7+
InChIKeyFMYYOVNKTVKPIP-AAVCTYAVSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine?
The IUPAC name of (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine (CID 167486385) is (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine.
What is the SMILES notation for (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine?
The canonical SMILES for (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine is CC1CC/C=N/C(C(C)C)=C\NCC1.
What is the InChIKey of (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine?
The InChIKey is FMYYOVNKTVKPIP-AAVCTYAVSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)12-9-13-8-6-11(3)5-4-7-14-12/h7,9-11,13H,4-6,8H2,1-3H3/b12-9-,14-7+.
What are the key properties of (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine?
(2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine has a molecular weight of 194.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-methyl-3-propan-2-yl-1,6,7,8,9,10-hexahydro-1,4-diazecine is sourced from PubChem (CID 167486385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).