(1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine

C11H19N — CID 88993744

IUPAC(1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine
SMILESN[C@]12CCC[C@H]3C[C@@H](CC3C1)C2
InChIInChI=1S/C11H19N/c12-11-3-1-2-9-4-8(6-11)5-10(9)7-11/h8-10H,1-7,12H2/t8-,9-,10?,11-/m0/s1
InChIKeyVFCNSZUUIPSKGR-VKRYWUJJSA-N
MW165.28 g/mol
LogP2.30
Rot. Bonds

About (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine

(1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine (PubChem CID 88993744) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine.

Molecular Properties

Compound Name(1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine
PubChem CID88993744
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine
SMILESN[C@]12CCC[C@H]3C[C@@H](CC3C1)C2
InChIInChI=1S/C11H19N/c12-11-3-1-2-9-4-8(6-11)5-10(9)7-11/h8-10H,1-7,12H2/t8-,9-,10?,11-/m0/s1
InChIKeyVFCNSZUUIPSKGR-VKRYWUJJSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine?
The IUPAC name of (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine (CID 88993744) is (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine.
What is the SMILES notation for (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine?
The canonical SMILES for (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine is N[C@]12CCC[C@H]3C[C@@H](CC3C1)C2.
What is the InChIKey of (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine?
The InChIKey is VFCNSZUUIPSKGR-VKRYWUJJSA-N. The full InChI is InChI=1S/C11H19N/c12-11-3-1-2-9-4-8(6-11)5-10(9)7-11/h8-10H,1-7,12H2/t8-,9-,10?,11-/m0/s1.
What are the key properties of (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine?
(1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine has a molecular weight of 165.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,7S)-tricyclo[5.3.1.03,9]undecan-7-amine is sourced from PubChem (CID 88993744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).