1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine

C18H35N — CID 106023685

IUPAC1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CCC)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C18H35N/c1-6-8-10-15(9-7-2)19-16-17(3,4)14-11-12-18(16,5)13-14/h14-16,19H,6-13H2,1-5H3
InChIKeyFAGVMBRPPHYEQU-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.15
Rot. Bonds7

About 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 106023685) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID106023685
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CCC)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C18H35N/c1-6-8-10-15(9-7-2)19-16-17(3,4)14-11-12-18(16,5)13-14/h14-16,19H,6-13H2,1-5H3
InChIKeyFAGVMBRPPHYEQU-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Mecamylamine
CID 4032
Mecamylamine Hydrochloride
CID 13221
Dexmecamylamine
CID 12358972
Dexmecamylamine Hydrochloride
CID 12358971
2(R)-Mecamylamine
CID 6603935
(1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 10932563
(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
CID 73355415
N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hexane-1,6-diamine
CID 90670987
N,1,7,7-Tetramethylbicyclo[2.2.1]heptan-2-amine
CID 31142
Mecamylamine hydrochloride, United States PharmacopeiaReference Standard
CID 25162921
2-Norbornanamine, N,3,3-trimethyl-
CID 3021748
2-Norbornanamine, N,2-dimethyl-
CID 45186

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine (CID 106023685) is 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine is CCCCC(CCC)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is FAGVMBRPPHYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-8-10-15(9-7-2)19-16-17(3,4)14-11-12-18(16,5)13-14/h14-16,19H,6-13H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 106023685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).