N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

C15H29N3O — CID 75497157

IUPACN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCC2CN3CCN2CC3)C(C)(C)O1
InChIInChI=1S/C15H29N3O/c1-14(2)9-13(15(3,4)19-14)16-10-12-11-17-5-7-18(12)8-6-17/h12-13,16H,5-11H2,1-4H3
InChIKeyPRVPBCKBCQEKNS-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.92
Rot. Bonds3

About N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 75497157) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID75497157
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCC2CN3CCN2CC3)C(C)(C)O1
InChIInChI=1S/C15H29N3O/c1-14(2)9-13(15(3,4)19-14)16-10-12-11-17-5-7-18(12)8-6-17/h12-13,16H,5-11H2,1-4H3
InChIKeyPRVPBCKBCQEKNS-UHFFFAOYSA-N
XLogP0.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 75497157) is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCC2CN3CCN2CC3)C(C)(C)O1.
What is the InChIKey of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is PRVPBCKBCQEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2)9-13(15(3,4)19-14)16-10-12-11-17-5-7-18(12)8-6-17/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 267.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 75497157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).