N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine

C16H29NO — CID 114246794

IUPACN-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOCC1C)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-3-17-16(14-6-7-18-10-11(14)2)15-9-12-4-5-13(15)8-12/h11-17H,3-10H2,1-2H3
InChIKeyWEGLMIOQZBULIJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.07
Rot. Bonds4

About N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine

N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine (PubChem CID 114246794) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine
PubChem CID114246794
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOCC1C)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-3-17-16(14-6-7-18-10-11(14)2)15-9-12-4-5-13(15)8-12/h11-17H,3-10H2,1-2H3
InChIKeyWEGLMIOQZBULIJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
CID 65419974
N-ethyl-1-(3-methyloxan-4-yl)prop-2-yn-1-amine
CID 130492029
N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
CID 114241922
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
2-(3-methyloxan-4-yl)propan-1-amine
CID 83905272
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
[2-bicyclo[2.2.1]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105266856
N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 114241957
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 114246670
1-(2-bicyclo[2.2.2]octanyl)-N-ethylprop-2-yn-1-amine
CID 131160154
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine (CID 114246794) is N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine is CCNC(C1CCOCC1C)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is WEGLMIOQZBULIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-17-16(14-6-7-18-10-11(14)2)15-9-12-4-5-13(15)8-12/h11-17H,3-10H2,1-2H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 114246794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).