4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine

C12H24N2 — CID 83879978

IUPAC4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
SMILESCC(C)C1CN2CCCCC2CCN1
InChIInChI=1S/C12H24N2/c1-10(2)12-9-14-8-4-3-5-11(14)6-7-13-12/h10-13H,3-9H2,1-2H3
InChIKeyPLSUYAONUJBEPX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds1

About 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine

4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine (PubChem CID 83879978) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
PubChem CID83879978
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
SMILESCC(C)C1CN2CCCCC2CCN1
InChIInChI=1S/C12H24N2/c1-10(2)12-9-14-8-4-3-5-11(14)6-7-13-12/h10-13H,3-9H2,1-2H3
InChIKeyPLSUYAONUJBEPX-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine?
The IUPAC name of 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine (CID 83879978) is 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine.
What is the SMILES notation for 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine?
The canonical SMILES for 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine is CC(C)C1CN2CCCCC2CCN1.
What is the InChIKey of 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine?
The InChIKey is PLSUYAONUJBEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)12-9-14-8-4-3-5-11(14)6-7-13-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine?
4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine is sourced from PubChem (CID 83879978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).