3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine

C15H30N2 — CID 24843980

IUPAC3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1C2CCC(C2)C1CN(C)C
InChIInChI=1S/C15H30N2/c1-16(2)9-5-6-14-12-7-8-13(10-12)15(14)11-17(3)4/h12-15H,5-11H2,1-4H3
InChIKeyCSTRZMCDEOXMQX-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.55
Rot. Bonds6

About 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine

3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine (PubChem CID 24843980) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine
PubChem CID24843980
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1C2CCC(C2)C1CN(C)C
InChIInChI=1S/C15H30N2/c1-16(2)9-5-6-14-12-7-8-13(10-12)15(14)11-17(3)4/h12-15H,5-11H2,1-4H3
InChIKeyCSTRZMCDEOXMQX-UHFFFAOYSA-N
XLogP2.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine (CID 24843980) is 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1C2CCC(C2)C1CN(C)C.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine?
The InChIKey is CSTRZMCDEOXMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-16(2)9-5-6-14-12-7-8-13(10-12)15(14)11-17(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine?
3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 24843980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).