1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine

C13H25NO — CID 79563313

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CC1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-3-14-13(9-15-2)8-12-7-10-4-5-11(12)6-10/h10-14H,3-9H2,1-2H3
InChIKeyKJXBEHNPKVRRIG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 79563313) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID79563313
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CC1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-3-14-13(9-15-2)8-12-7-10-4-5-11(12)6-10/h10-14H,3-9H2,1-2H3
InChIKeyKJXBEHNPKVRRIG-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717001

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine (CID 79563313) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is KJXBEHNPKVRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14-13(9-15-2)8-12-7-10-4-5-11(12)6-10/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 79563313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).