(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine

C9H15N — CID 123346188

IUPAC(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
SMILESN[C@H]1CC2CC=C[C@H](C2)C1
InChIInChI=1S/C9H15N/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6,10H2/t7-,8?,9-/m1/s1
InChIKeyPJQNVODAJQFMAZ-PSGOWDBMSA-N
MW137.23 g/mol
LogP1.69
Rot. Bonds

About (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine

(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine (PubChem CID 123346188) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine.

Molecular Properties

Compound Name(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
PubChem CID123346188
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
SMILESN[C@H]1CC2CC=C[C@H](C2)C1
InChIInChI=1S/C9H15N/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6,10H2/t7-,8?,9-/m1/s1
InChIKeyPJQNVODAJQFMAZ-PSGOWDBMSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.69
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

Bicyclo[2.2.2]oct-5-en-2-amine hydrochloride
CID 132300765
Endo-bicyclo[3.3.1]nonan-6-ene-3-amine hydrochloride
CID 24194224
Bicyclo[2.2.2]oct-5-en-2-amine
CID 13003781
cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine
CID 147968810
(1R,5S)-bicyclo[3.3.1]non-6-en-3-amine
CID 134834690
(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene
CID 134858467
3-(Cyclohexen-1-yl)-3-fluorocyclohexan-1-amine
CID 106655056
3-(Cycloocten-1-yl)-3-fluorocyclohexan-1-amine
CID 106655057
Bicyclo[3.3.1]non-6-en-2-ylamine
CID 544835
2,7-Methanonaphthalen-3-amine, 1,2,3,4,4a,7,8,8a-octahydro-, (2alpha,3alpha,4abeta,7alpha,8abeta)-
CID 556163
2-(Cyclohexen-1-yl)cyclohexan-1-amine
CID 14068525
Bicyclo[3.3.1]non-6-en-3-amine
CID 424483

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
The IUPAC name of (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine (CID 123346188) is (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine.
What is the SMILES notation for (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
The canonical SMILES for (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine is N[C@H]1CC2CC=C[C@H](C2)C1.
What is the InChIKey of (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
The InChIKey is PJQNVODAJQFMAZ-PSGOWDBMSA-N. The full InChI is InChI=1S/C9H15N/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6,10H2/t7-,8?,9-/m1/s1.
What are the key properties of (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine has a molecular weight of 137.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-bicyclo[3.3.1]non-6-en-3-amine is sourced from PubChem (CID 123346188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).