ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine

C19H43N3 — CID 157497736

IUPACethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine
SMILESCC.CC.CC(C)C1CCCN1.CC(C)N1CC2CC1CN2
InChIInChI=1S/C8H16N2.C7H15N.2C2H6/c1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)7-4-3-5-8-7;2*1-2/h6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*1-2H3
InChIKeyBYALTSJYHYJWRW-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.89
Rot. Bonds2

About ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine

ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine (PubChem CID 157497736) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine
PubChem CID157497736
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC Nameethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine
SMILESCC.CC.CC(C)C1CCCN1.CC(C)N1CC2CC1CN2
InChIInChI=1S/C8H16N2.C7H15N.2C2H6/c1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)7-4-3-5-8-7;2*1-2/h6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*1-2H3
InChIKeyBYALTSJYHYJWRW-UHFFFAOYSA-N
XLogP3.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine with MolForge

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Related Compounds

2-Isobutyl-2,5-diazabicyclo[2.2.1]heptane
CID 2760902
(1R,4R)-2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 11888014
Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
CID 22291204
1-Azaspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 22291224
7-Pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane
CID 55263923
(1s,4s)-2-Isobutyl-2,5-diazabicyclo[2.2.1]heptane
CID 57354289
(1R,4R)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane
CID 57765978
N-propan-2-yl-1-azabicyclo[2.2.1]heptan-3-amine
CID 57968243
2-Propan-2-yl-1-pyrrolidin-3-ylpyrrolidine
CID 58468058
1,4-Dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 59679288
(2R)-3-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-amine
CID 60017933
1-Cyclopentylpiperazine;2-propan-2-ylpyrrolidine
CID 67269242

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine?
The IUPAC name of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine (CID 157497736) is ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine is CC.CC.CC(C)C1CCCN1.CC(C)N1CC2CC1CN2.
What is the InChIKey of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine?
The InChIKey is BYALTSJYHYJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H15N.2C2H6/c1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)7-4-3-5-8-7;2*1-2/h6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine?
ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine has a molecular weight of 313.57 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine is sourced from PubChem (CID 157497736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).