N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide

C12H24N4O — CID 170290766

IUPACN,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCNN1C2CCC1CN(CCC(=O)N(C)C)C2
InChIInChI=1S/C12H24N4O/c1-13-16-10-4-5-11(16)9-15(8-10)7-6-12(17)14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyXUJHFQKVYVKRTJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.25
Rot. Bonds4

About N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide

N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide (PubChem CID 170290766) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide
PubChem CID170290766
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCNN1C2CCC1CN(CCC(=O)N(C)C)C2
InChIInChI=1S/C12H24N4O/c1-13-16-10-4-5-11(16)9-15(8-10)7-6-12(17)14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyXUJHFQKVYVKRTJ-UHFFFAOYSA-N
XLogP-0.25
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide (CID 170290766) is N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide is CNN1C2CCC1CN(CCC(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide?
The InChIKey is XUJHFQKVYVKRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-13-16-10-4-5-11(16)9-15(8-10)7-6-12(17)14(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide?
N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide has a molecular weight of 240.35 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide is sourced from PubChem (CID 170290766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).