4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine

C13H26N2 — CID 139592834

IUPAC4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine
SMILESCC(C)N(C)CC12CCC(N)(CC1)CC2
InChIInChI=1S/C13H26N2/c1-11(2)15(3)10-12-4-7-13(14,8-5-12)9-6-12/h11H,4-10,14H2,1-3H3
InChIKeyITDQRKKEEWINBR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds3

About 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine

4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 139592834) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine
PubChem CID139592834
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine
SMILESCC(C)N(C)CC12CCC(N)(CC1)CC2
InChIInChI=1S/C13H26N2/c1-11(2)15(3)10-12-4-7-13(14,8-5-12)9-6-12/h11H,4-10,14H2,1-3H3
InChIKeyITDQRKKEEWINBR-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylaminomethyl)bicyclo[2.2.2]octan-1-amine
CID 139592836
4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine
CID 139592833
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 157114602
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62263942
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopropan-1-amine
CID 84763773
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine
CID 157114604
N-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756182
N-[(3-ethylazetidin-3-yl)methyl]-N-methylpropan-2-amine
CID 165404355
N-[(4-methoxypiperidin-4-yl)methyl]-N-methylpropan-2-amine
CID 153356841
N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 170185971

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine (CID 139592834) is 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine is CC(C)N(C)CC12CCC(N)(CC1)CC2.
What is the InChIKey of 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
The InChIKey is ITDQRKKEEWINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)15(3)10-12-4-7-13(14,8-5-12)9-6-12/h11H,4-10,14H2,1-3H3.
What are the key properties of 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 139592834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).