2-tricyclo[5.3.1.04,9]undecanylmethanamine

C12H21N — CID 146321194

IUPAC2-tricyclo[5.3.1.04,9]undecanylmethanamine
SMILESNCC1CC2CCC3CC1CC2C3
InChIInChI=1S/C12H21N/c13-7-12-5-9-2-1-8-3-10(9)6-11(12)4-8/h8-12H,1-7,13H2
InChIKeyTUVONMFBHXEEFJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.41
Rot. Bonds1

About 2-tricyclo[5.3.1.04,9]undecanylmethanamine

2-tricyclo[5.3.1.04,9]undecanylmethanamine (PubChem CID 146321194) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-tricyclo[5.3.1.04,9]undecanylmethanamine.

Molecular Properties

Compound Name2-tricyclo[5.3.1.04,9]undecanylmethanamine
PubChem CID146321194
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-tricyclo[5.3.1.04,9]undecanylmethanamine
SMILESNCC1CC2CCC3CC1CC2C3
InChIInChI=1S/C12H21N/c13-7-12-5-9-2-1-8-3-10(9)6-11(12)4-8/h8-12H,1-7,13H2
InChIKeyTUVONMFBHXEEFJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 101328281
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
CID 124658554
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
tricyclo[5.3.2.04,9]dodecane
CID 54490019
[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine
CID 114246999

Frequently Asked Questions

What is the IUPAC name of 2-tricyclo[5.3.1.04,9]undecanylmethanamine?
The IUPAC name of 2-tricyclo[5.3.1.04,9]undecanylmethanamine (CID 146321194) is 2-tricyclo[5.3.1.04,9]undecanylmethanamine.
What is the SMILES notation for 2-tricyclo[5.3.1.04,9]undecanylmethanamine?
The canonical SMILES for 2-tricyclo[5.3.1.04,9]undecanylmethanamine is NCC1CC2CCC3CC1CC2C3.
What is the InChIKey of 2-tricyclo[5.3.1.04,9]undecanylmethanamine?
The InChIKey is TUVONMFBHXEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c13-7-12-5-9-2-1-8-3-10(9)6-11(12)4-8/h8-12H,1-7,13H2.
What are the key properties of 2-tricyclo[5.3.1.04,9]undecanylmethanamine?
2-tricyclo[5.3.1.04,9]undecanylmethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tricyclo[5.3.1.04,9]undecanylmethanamine is sourced from PubChem (CID 146321194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).