(1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine

C13H21N — CID 12966046

IUPAC(1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine
SMILESN[C@@H]1[C@@H]2CCC[C@H]1C1=C(CCCC1)C2
InChIInChI=1S/C13H21N/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h10,12-13H,1-8,14H2/t10-,12+,13-/m1/s1
InChIKeyRNIDTNZHNRWZFL-KGYLQXTDSA-N
MW191.32 g/mol
LogP3.00
Rot. Bonds

About (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine

(1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine (PubChem CID 12966046) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine.

Molecular Properties

Compound Name(1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine
PubChem CID12966046
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine
SMILESN[C@@H]1[C@@H]2CCC[C@H]1C1=C(CCCC1)C2
InChIInChI=1S/C13H21N/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h10,12-13H,1-8,14H2/t10-,12+,13-/m1/s1
InChIKeyRNIDTNZHNRWZFL-KGYLQXTDSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-N-[(1S,9S,13S)-13-tricyclo[7.3.1.02,7]tridec-2(7)-enyl]methanimine
CID 6954338
1-(3-nitrophenyl)-N-[(1S,9S,13R)-13-tricyclo[7.3.1.02,7]tridec-2(7)-enyl]methanimine
CID 6954309
CID 70875567
CID 70875567
2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one
CID 82254217
(3bR,6aS)-2,3,3b,4,5,6,6a,7-octahydro-1H-cyclopenta[a]pentalene-4-carbonitrile
CID 11052131
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
2-(4-methylphenyl)bicyclo[3.3.1]non-2-en-9-amine
CID 45098007
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
CID 98511830
2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
(7aR)-1,2,3,3a,4,5,6,7a-octahydrocyclopenta[a]pentalen-7-one
CID 70232896
2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene
CID 89177060

Frequently Asked Questions

What is the IUPAC name of (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
The IUPAC name of (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine (CID 12966046) is (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine.
What is the SMILES notation for (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
The canonical SMILES for (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine is N[C@@H]1[C@@H]2CCC[C@H]1C1=C(CCCC1)C2.
What is the InChIKey of (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
The InChIKey is RNIDTNZHNRWZFL-KGYLQXTDSA-N. The full InChI is InChI=1S/C13H21N/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h10,12-13H,1-8,14H2/t10-,12+,13-/m1/s1.
What are the key properties of (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
(1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine has a molecular weight of 191.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,13R)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine is sourced from PubChem (CID 12966046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).