tricyclo[5.3.2.03,9]dodecan-4-amine

C12H21N — CID 89298731

IUPACtricyclo[5.3.2.03,9]dodecan-4-amine
SMILESNC1CCC2CCC3CC(C2)C1C3
InChIInChI=1S/C12H21N/c13-12-4-3-8-1-2-9-6-10(5-8)11(12)7-9/h8-12H,1-7,13H2
InChIKeyIJNWKNRBUKJVLC-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds

About tricyclo[5.3.2.03,9]dodecan-4-amine

tricyclo[5.3.2.03,9]dodecan-4-amine (PubChem CID 89298731) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is tricyclo[5.3.2.03,9]dodecan-4-amine.

Molecular Properties

Compound Nametricyclo[5.3.2.03,9]dodecan-4-amine
PubChem CID89298731
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nametricyclo[5.3.2.03,9]dodecan-4-amine
SMILESNC1CCC2CCC3CC(C2)C1C3
InChIInChI=1S/C12H21N/c13-12-4-3-8-1-2-9-6-10(5-8)11(12)7-9/h8-12H,1-7,13H2
InChIKeyIJNWKNRBUKJVLC-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
(1S,3S,4S,6S,8S)-tricyclo[4.3.1.03,8]decan-4-amine
CID 7937243
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
bicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 78172525
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
bicyclo[2.2.2]octan-2-amine
CID 13239288
cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
CID 178199728
tricyclo[5.3.1.03,9]undecan-2-amine
CID 89166001
tricyclo[5.3.2.04,9]dodecane
CID 54490019
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
CID 14638743

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.2.03,9]dodecan-4-amine?
The IUPAC name of tricyclo[5.3.2.03,9]dodecan-4-amine (CID 89298731) is tricyclo[5.3.2.03,9]dodecan-4-amine.
What is the SMILES notation for tricyclo[5.3.2.03,9]dodecan-4-amine?
The canonical SMILES for tricyclo[5.3.2.03,9]dodecan-4-amine is NC1CCC2CCC3CC(C2)C1C3.
What is the InChIKey of tricyclo[5.3.2.03,9]dodecan-4-amine?
The InChIKey is IJNWKNRBUKJVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c13-12-4-3-8-1-2-9-6-10(5-8)11(12)7-9/h8-12H,1-7,13H2.
What are the key properties of tricyclo[5.3.2.03,9]dodecan-4-amine?
tricyclo[5.3.2.03,9]dodecan-4-amine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.2.03,9]dodecan-4-amine is sourced from PubChem (CID 89298731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).