(2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol

C14H25NO — CID 5276210

IUPAC(2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol
SMILESCC1C2CCCC([C@@H]2N)[C@]2(O)CCCCC12
InChIInChI=1S/C14H25NO/c1-9-10-5-4-7-12(13(10)15)14(16)8-3-2-6-11(9)14/h9-13,16H,2-8,15H2,1H3/t9?,10?,11?,12?,13-,14+/m1/s1
InChIKeyDNQNIARBWUTCEW-RXENIJKDSA-N
MW223.36 g/mol
LogP2.30
Rot. Bonds

About (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol

(2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol (PubChem CID 5276210) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol.

Molecular Properties

Compound Name(2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol
PubChem CID5276210
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol
SMILESCC1C2CCCC([C@@H]2N)[C@]2(O)CCCCC12
InChIInChI=1S/C14H25NO/c1-9-10-5-4-7-12(13(10)15)14(16)8-3-2-6-11(9)14/h9-13,16H,2-8,15H2,1H3/t9?,10?,11?,12?,13-,14+/m1/s1
InChIKeyDNQNIARBWUTCEW-RXENIJKDSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-methylbicyclo[4.2.0]octan-7-amine
CID 81421667
6-ethyl-7-methylbicyclo[3.2.1]octan-8-amine
CID 73102420
1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol
CID 138485486
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(1R,4aS,8aR)-4,5,6,7,8,8a-hexahydro-1H-naphthalene-1,4a-diol
CID 130918425
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
2-cyclononylcyclononane-1,1-diol
CID 23113232

Frequently Asked Questions

What is the IUPAC name of (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol?
The IUPAC name of (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol (CID 5276210) is (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol.
What is the SMILES notation for (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol?
The canonical SMILES for (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol is CC1C2CCCC([C@@H]2N)[C@]2(O)CCCCC12.
What is the InChIKey of (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol?
The InChIKey is DNQNIARBWUTCEW-RXENIJKDSA-N. The full InChI is InChI=1S/C14H25NO/c1-9-10-5-4-7-12(13(10)15)14(16)8-3-2-6-11(9)14/h9-13,16H,2-8,15H2,1H3/t9?,10?,11?,12?,13-,14+/m1/s1.
What are the key properties of (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol?
(2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol has a molecular weight of 223.36 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,13R)-13-amino-8-methyltricyclo[7.3.1.02,7]tridecan-2-ol is sourced from PubChem (CID 5276210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).