5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane

C15H31N — CID 144518105

IUPAC5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane
SMILESCC.CCC1C2CC(C1CC)C(NC)C2C
InChIInChI=1S/C13H25N.C2H6/c1-5-9-10(6-2)12-7-11(9)8(3)13(12)14-4;1-2/h8-14H,5-7H2,1-4H3;1-2H3
InChIKeySKGNUMXBNXXSLQ-UHFFFAOYSA-N
MW225.42 g/mol
LogP3.94
Rot. Bonds3

About 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane

5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane (PubChem CID 144518105) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane.

Molecular Properties

Compound Name5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane
PubChem CID144518105
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane
SMILESCC.CCC1C2CC(C1CC)C(NC)C2C
InChIInChI=1S/C13H25N.C2H6/c1-5-9-10(6-2)12-7-11(9)8(3)13(12)14-4;1-2/h8-14H,5-7H2,1-4H3;1-2H3
InChIKeySKGNUMXBNXXSLQ-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
CID 159924784
N,8-dimethylbicyclo[4.2.0]octan-7-amine
CID 81422301
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
CID 123273442
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 122645180
1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine
CID 115421009
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane?
The IUPAC name of 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane (CID 144518105) is 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane.
What is the SMILES notation for 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane?
The canonical SMILES for 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane is CC.CCC1C2CC(C1CC)C(NC)C2C.
What is the InChIKey of 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane?
The InChIKey is SKGNUMXBNXXSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C2H6/c1-5-9-10(6-2)12-7-11(9)8(3)13(12)14-4;1-2/h8-14H,5-7H2,1-4H3;1-2H3.
What are the key properties of 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane?
5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane has a molecular weight of 225.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane is sourced from PubChem (CID 144518105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).