N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine

C15H28N2O — CID 55233839

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
SMILESCN(CC1CC2CCC1C2)CC1(CN)CCOC1
InChIInChI=1S/C15H28N2O/c1-17(10-15(9-16)4-5-18-11-15)8-14-7-12-2-3-13(14)6-12/h12-14H,2-11,16H2,1H3
InChIKeyIPUQDNKNNGRYGK-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.72
Rot. Bonds5

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine (PubChem CID 55233839) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
PubChem CID55233839
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
SMILESCN(CC1CC2CCC1C2)CC1(CN)CCOC1
InChIInChI=1S/C15H28N2O/c1-17(10-15(9-16)4-5-18-11-15)8-14-7-12-2-3-13(14)6-12/h12-14H,2-11,16H2,1H3
InChIKeyIPUQDNKNNGRYGK-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine with MolForge

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Related Compounds

N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63684055
[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63746094
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 63682561
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492128
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 63682928
5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol
CID 107204536

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine (CID 55233839) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine is CN(CC1CC2CCC1C2)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
The InChIKey is IPUQDNKNNGRYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-17(10-15(9-16)4-5-18-11-15)8-14-7-12-2-3-13(14)6-12/h12-14H,2-11,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine has a molecular weight of 252.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine is sourced from PubChem (CID 55233839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).